Product OPENEYE NAME: 3-isobutyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 3-(2-methylpropyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 3-(2-methylpropyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 3-(2-methylpropyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C12H17F3N4O3
MOLECULAR WEIGHT: 322.28359
SMILES: CC(C)CC1=NOC(=N1)C2CNC=NC2.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: 3-isopropyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 3-propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 3-propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 3-propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C11H15F3N4O3
MOLECULAR WEIGHT: 308.25701
SMILES: CC(C)C1=NOC(=N1)C2CNC=NC2.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: pent-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-3-ynyl ester chloride
IUPAC NAME: pent-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
SYSTEMATIC NAME: pent-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
MOLECULAR FORMULA: C10H14ClN2O2-
MOLECULAR WEIGHT: 229.68336
SMILES: CC#CCCOC(=O)C1CNC=NC1.[Cl-]
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Product OPENEYE NAME: pent-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-2-ynyl ester chloride
IUPAC NAME: pent-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
SYSTEMATIC NAME: pent-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
MOLECULAR FORMULA: C10H14ClN2O2-
MOLECULAR WEIGHT: 229.68336
SMILES: CCC#CCOC(=O)C1CNC=NC1.[Cl-]
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Product OPENEYE NAME: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-4-ynyl ester chloride
IUPAC NAME: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
SYSTEMATIC NAME: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
MOLECULAR FORMULA: C10H14ClN2O2-
MOLECULAR WEIGHT: 229.68336
SMILES: C#CCCCOC(=O)C1CNC=NC1.[Cl-]
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Product OPENEYE NAME: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-4-ynyl ester
IUPAC NAME: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
SYSTEMATIC NAME: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: C#CCCCOC(=O)C1CNC=NC1
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Product OPENEYE NAME: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid but-3-ynyl ester chloride
IUPAC NAME: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
SYSTEMATIC NAME: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
MOLECULAR FORMULA: C9H12ClN2O2-
MOLECULAR WEIGHT: 215.65678
SMILES: C#CCCOC(=O)C1CNC=NC1.[Cl-]
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Product OPENEYE NAME: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid but-3-ynyl ester
IUPAC NAME: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
SYSTEMATIC NAME: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: C#CCCOC(=O)C1CNC=NC1
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MOLECULAR FORMULA: C78H123N21O35P2
MOLECULAR WEIGHT: 1976.878442
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=
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MOLECULAR FORMULA: C19H30O7
MOLECULAR WEIGHT: 370.4373
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC(C)C(=O)O)C
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Product OPENEYE NAME: 3,5-dibromo-N-(5-chloro-1,3-benzoxazol-2-yl)-2-hydroxy-benzamide
CAS Name: 3,5-dibromo-N-(5-chloro-1,3-benzoxazol-2-yl)-2-hydroxybenzamide
IUPAC NAME: 3,5-dibromo-N-(5-chloro-1,3-benzoxazol-2-yl)-2-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-N-(5-chloranyl-1,3-benzoxazol-2-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H7Br2ClN2O3
MOLECULAR WEIGHT: 446.47798
SMILES: C1=CC2=C(C=C1Cl)N=C(O2)NC(=O)C3=CC(=CC(=C3O)Br)Br
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Product OPENEYE NAME: 2-hydroxy-N-(4-nitrophenyl)-5-octanoyl-benzamide
CAS Name: 2-hydroxy-N-(4-nitrophenyl)-5-(1-oxooctyl)benzamide
IUPAC NAME: 2-hydroxy-N-(4-nitrophenyl)-5-octanoylbenzamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-5-octanoyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-yl)-5-dodecanoyl-2-hydroxy-benzamide
CAS Name: N-(1,3-benzothiazol-2-yl)-2-hydroxy-5-(1-oxododecyl)benzamide
IUPAC NAME: N-(1,3-benzothiazol-2-yl)-5-dodecanoyl-2-hydroxybenzamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-5-dodecanoyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C26H32N2O3S
MOLECULAR WEIGHT: 452.60888
SMILES: CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)NC2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(7-aminoheptyl)-7-(6-aminohexoxy)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-trifluoroacetic acid
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[3-(7-aminoheptyl)-7-(6-aminohexoxy)-1H-indol-2-yl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(7-aminoheptyl)-7-(6-aminohexoxy)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(7-azanylheptyl)-7-(6-azanylhexoxy)-1H-indol-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C45H67F3N6O9
MOLECULAR WEIGHT: 893.04349
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=C(C3=C(N2)C(=CC=C3)OCCCCCCN)CCCCCCCN.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(7-aminoheptyl)-7-(6-aminohexoxy)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[3-(7-aminoheptyl)-7-(6-aminohexoxy)-1H-indol-2-yl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(7-aminoheptyl)-7-(6-aminohexoxy)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(7-azanylheptyl)-7-(6-azanylhexoxy)-1H-indol-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C43H66N6O7
MOLECULAR WEIGHT: 779.02014
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=C(C3=C(N2)C(=CC=C3)OCCCCCCN)CCCCCCCN
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[7-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-trifluoroacetic acid
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[7-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indol-2-yl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[7-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[7-(7-azanylheptoxy)-3-(8-azanyloctyl)-1H-indol-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C47H71F3N6O9
MOLECULAR WEIGHT: 921.09665
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=C(C3=C(N2)C(=CC=C3)OCCCCCCCN)CCCCCCCCN.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[7-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[7-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indol-2-yl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[7-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[7-(7-azanylheptoxy)-3-(8-azanyloctyl)-1H-indol-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C45H70N6O7
MOLECULAR WEIGHT: 807.0733
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=C(C3=C(N2)C(=CC=C3)OCCCCCCCN)CCCCCCCCN
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[5-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-trifluoroacetic acid
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[5-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indol-2-yl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[5-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[5-(7-azanylheptoxy)-3-(8-azanyloctyl)-1H-indol-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C47H71F3N6O9
MOLECULAR WEIGHT: 921.09665
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=C(C3=C(N2)C=CC(=C3)OCCCCCCCN)CCCCCCCCN.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[5-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[[5-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indol-2-yl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[5-(7-aminoheptoxy)-3-(8-aminooctyl)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[5-(7-azanylheptoxy)-3-(8-azanyloctyl)-1H-indol-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C45H70N6O7
MOLECULAR WEIGHT: 807.0733
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=C(C3=C(N2)C=CC(=C3)OCCCCCCCN)CCCCCCCCN
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Product OPENEYE NAME: (1E)-4-(methoxymethyl)cyclohexene-1-carbaldehyde oxime
CAS Name: (1E)-4-(methoxymethyl)-1-cyclohexenecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[[4-(methoxymethyl)cyclohexen-1-yl]methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[[4-(methoxymethyl)cyclohexen-1-yl]methylidene]hydroxylamine
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: COCC1CCC(=CC1)/C=N/O
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Product OPENEYE NAME: (1E)-4-(1,2-dimethoxy-1-methyl-ethyl)cyclohexene-1-carbaldehyde oxime
CAS Name: (1E)-4-(1,2-dimethoxypropan-2-yl)-1-cyclohexenecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[[4-(1,2-dimethoxypropan-2-yl)cyclohexen-1-yl]methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[[4-(1,2-dimethoxypropan-2-yl)cyclohexen-1-yl]methylidene]hydroxylamine
MOLECULAR FORMULA: C12H21NO3
MOLECULAR WEIGHT: 227.30004
SMILES: CC(COC)(C1CCC(=CC1)/C=N/O)OC
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Product OPENEYE NAME: (4E)-3,6-dihydro-2H-thiopyran-4-carbaldehyde oxime
CAS Name: (4E)-3,6-dihydro-2H-thiopyran-4-carboxaldehyde oxime
IUPAC NAME: (NE)-N-(3,6-dihydro-2H-thiopyran-4-ylmethylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(3,6-dihydro-2H-thiopyran-4-ylmethylidene)hydroxylamine
MOLECULAR FORMULA: C6H9NOS
MOLECULAR WEIGHT: 143.20676
SMILES: C1CSCC=C1/C=N/O
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Product OPENEYE NAME: (4E)-3,6-dihydro-2H-pyran-4-carbaldehyde oxime
CAS Name: (4E)-3,6-dihydro-2H-pyran-4-carboxaldehyde oxime
IUPAC NAME: (NE)-N-(3,6-dihydro-2H-pyran-4-ylmethylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(3,6-dihydro-2H-pyran-4-ylmethylidene)hydroxylamine
MOLECULAR FORMULA: C6H9NO2
MOLECULAR WEIGHT: 127.14116
SMILES: C1COCC=C1/C=N/O
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