Product OPENEYE NAME: 2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
CAS Name: 2-amino-3-(2-carboxyethylthio)propanoic acid
IUPAC NAME: 2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(3-hydroxy-3-oxopropylsulfanyl)propanoic acid
MOLECULAR FORMULA: C6H11NO4S
MOLECULAR WEIGHT: 193.22084
SMILES: C(CSCC(C(=O)O)N)C(=O)O
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Product OPENEYE NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium bromide
CAS Name: [3-[(4-chlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium bromide
IUPAC NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [3-[(4-chloranylphenoxy)methyl]oxetan-3-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C14H21BrClNO2
MOLECULAR WEIGHT: 350.67904
SMILES: C[N+](C)(C)CC1(COC1)COC2=CC=C(C=C2)Cl.[Br-]
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Product OPENEYE NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium
CAS Name: [3-[(4-chlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium
IUPAC NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [3-[(4-chloranylphenoxy)methyl]oxetan-3-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C14H21ClNO2+
MOLECULAR WEIGHT: 270.77504
SMILES: C[N+](C)(C)CC1(COC1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium bromide
CAS Name: [3-[(2,4-dichlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium bromide
IUPAC NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [3-[[2,4-bis(chloranyl)phenoxy]methyl]oxetan-3-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C14H20BrCl2NO2
MOLECULAR WEIGHT: 385.1241
SMILES: C[N+](C)(C)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl.[Br-]
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Product OPENEYE NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium
CAS Name: [3-[(2,4-dichlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium
IUPAC NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [3-[[2,4-bis(chloranyl)phenoxy]methyl]oxetan-3-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C14H20Cl2NO2+
MOLECULAR WEIGHT: 305.2201
SMILES: C[N+](C)(C)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
CAS Name: 1,3-bis(6-isocyanatohexyl)-1-[(6-isocyanatohexylamino)-oxomethyl]urea
IUPAC NAME: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
SYSTEMATIC NAME: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
MOLECULAR FORMULA: C23H38N6O5
MOLECULAR WEIGHT: 478.58502
SMILES: C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O
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Product OPENEYE NAME: 3-ethylpent-1-ene
CAS Name: 3-ethyl-1-pentene
IUPAC NAME: 3-ethylpent-1-ene
SYSTEMATIC NAME: 3-ethylpent-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCC(CC)C=C
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Product OPENEYE NAME: N-methyl-1,3,5-triazin-2-amine
CAS Name: N-methyl-1,3,5-triazin-2-amine
IUPAC NAME: N-methyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-methyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C4H6N4
MOLECULAR WEIGHT: 110.11724
SMILES: CNC1=NC=NC=N1
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Product OPENEYE NAME: N,N-dimethyl-1,3,5-triazin-2-amine
CAS Name: N,N-dimethyl-1,3,5-triazin-2-amine
IUPAC NAME: N,N-dimethyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N,N-dimethyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C5H8N4
MOLECULAR WEIGHT: 124.14382
SMILES: CN(C)C1=NC=NC=N1
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Product OPENEYE NAME: N-benzyl-1,3,5-triazin-2-amine
CAS Name: N-(phenylmethyl)-1,3,5-triazin-2-amine
IUPAC NAME: N-benzyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-(phenylmethyl)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C10H10N4
MOLECULAR WEIGHT: 186.2132
SMILES: C1=CC=C(C=C1)CNC2=NC=NC=N2
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Product OPENEYE NAME: N-phenyl-1,3,5-triazin-2-amine
CAS Name: N-phenyl-1,3,5-triazin-2-amine
IUPAC NAME: N-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C9H8N4
MOLECULAR WEIGHT: 172.18662
SMILES: C1=CC=C(C=C1)NC2=NC=NC=N2
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Product OPENEYE NAME: 6-amino-1H-1,3,5-triazin-2-one
CAS Name: 6-amino-1H-1,3,5-triazin-2-one
IUPAC NAME: 6-amino-1H-1,3,5-triazin-2-one
SYSTEMATIC NAME: 6-azanyl-1H-1,3,5-triazin-2-one
MOLECULAR FORMULA: C3H4N4O
MOLECULAR WEIGHT: 112.09006
SMILES: C1=NC(=O)NC(=N1)N
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Product OPENEYE NAME: 2,5-dimethylcyclopent-2-en-1-one
CAS Name: 2,5-dimethyl-1-cyclopent-2-enone
IUPAC NAME: 2,5-dimethylcyclopent-2-en-1-one
SYSTEMATIC NAME: 2,5-dimethylcyclopent-2-en-1-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC1CC=C(C1=O)C
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Product OPENEYE NAME: 1,4-diisothiocyanatobenzene
CAS Name: 1,4-diisothiocyanatobenzene
IUPAC NAME: 1,4-diisothiocyanatobenzene
SYSTEMATIC NAME: 1,4-diisothiocyanatobenzene
MOLECULAR FORMULA: C8H4N2S2
MOLECULAR WEIGHT: 192.26076
SMILES: C1=CC(=CC=C1N=C=S)N=C=S
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Product OPENEYE NAME: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
CAS Name: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]-1-propanol
IUPAC NAME: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
SYSTEMATIC NAME: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
MOLECULAR FORMULA: C13H15N5O
MOLECULAR WEIGHT: 257.2911
SMILES: CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO
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Product OPENEYE NAME: 6-aminohexan-1-ol
CAS Name: 6-amino-1-hexanol
IUPAC NAME: 6-aminohexan-1-ol
SYSTEMATIC NAME: 6-azanylhexan-1-ol
MOLECULAR FORMULA: C6H15NO
MOLECULAR WEIGHT: 117.1894
SMILES: C(CCCO)CCN
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MOLECULAR FORMULA: C22H30N4O6
MOLECULAR WEIGHT: 446.4968
SMILES: CCCCCCC(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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MOLECULAR FORMULA: C21H28N4O5
MOLECULAR WEIGHT: 416.47082
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)NC5CCCCC5
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MOLECULAR FORMULA: C17H22N4O5
MOLECULAR WEIGHT: 362.38038
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)N(C)C
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MOLECULAR FORMULA: C18H22N4O7
MOLECULAR WEIGHT: 406.38988
SMILES: CCOC(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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Product OPENEYE NAME: 2-methylhexa-1,5-diene
CAS Name: 2-methylhexa-1,5-diene
IUPAC NAME: 2-methylhexa-1,5-diene
SYSTEMATIC NAME: 2-methylhexa-1,5-diene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC(=C)CCC=C
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Product OPENEYE NAME: hex-2-ene
CAS Name: 2-hexene
IUPAC NAME: hex-2-ene
SYSTEMATIC NAME: hex-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCCC=CC
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Product OPENEYE NAME: 4-methyl-1-oxido-quinolin-1-ium
CAS Name: 4-methyl-1-oxidoquinolin-1-ium
IUPAC NAME: 4-methyl-1-oxidoquinolin-1-ium
SYSTEMATIC NAME: 4-methyl-1-oxidanidyl-quinolin-1-ium
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC=[N+](C2=CC=CC=C12)[O-]
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