Product OPENEYE NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methyl]sulfanylbenzoate
CAS Name: 2-[[(S)-[(2S)-2-morpholinyl]-phenylmethyl]thio]benzoic acid methyl ester
IUPAC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenylmethyl]sulfanylbenzoate
SYSTEMATIC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methyl]sulfanylbenzoate
MOLECULAR FORMULA: C19H21NO3S
MOLECULAR WEIGHT: 343.43994
SMILES: COC(=O)C1=CC=CC=C1S[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenyl-methyl]morpholine
CAS Name: (2S)-2-[(S)-[[2-(2-fluoroethoxy)phenyl]thio]-phenylmethyl]morpholine
IUPAC NAME: (2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenylmethyl]morpholine
SYSTEMATIC NAME: (2S)-2-[(S)-[2-(2-fluoranylethoxy)phenyl]sulfanyl-phenyl-methyl]morpholine
MOLECULAR FORMULA: C19H22FNO2S
MOLECULAR WEIGHT: 347.446883
SMILES: C1CO[C@@H](CN1)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3OCCF
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Product OPENEYE NAME: 4-guanidino-N-phenyl-benzamide
CAS Name: 4-(diaminomethylideneamino)-N-phenylbenzamide
IUPAC NAME: 4-(diaminomethylideneamino)-N-phenylbenzamide
SYSTEMATIC NAME: 4-[bis(azanyl)methylideneamino]-N-phenyl-benzamide
MOLECULAR FORMULA: C14H14N4O
MOLECULAR WEIGHT: 254.28716
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C(N)N
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Product OPENEYE NAME: 2-[2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethyl-(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethyl-(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethyl-(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C19H23BrN6O2
MOLECULAR WEIGHT: 447.32892
SMILES: C1=CC(=C(C(=C1)Br)NCCN(CCO)CCO)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diisobutylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(2-methylpropyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C50H88N4O3
MOLECULAR WEIGHT: 793.25872
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC(C)C)CC(C)C
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Product OPENEYE NAME: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CAS Name: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3-chlorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H17ClO4
MOLECULAR WEIGHT: 332.77818
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=CC=C2)Cl)OC
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Product OPENEYE NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methoxy]benzoate
CAS Name: 2-[(S)-[(2S)-2-morpholinyl]-phenylmethoxy]benzoic acid methyl ester
IUPAC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]benzoate
SYSTEMATIC NAME: methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenyl-methoxy]benzoate
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: COC(=O)C1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenyl-methyl]morpholine
CAS Name: (2S)-2-[(S)-[2-(methylthio)phenoxy]-phenylmethyl]morpholine
IUPAC NAME: (2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenylmethyl]morpholine
SYSTEMATIC NAME: (2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenyl-methyl]morpholine
MOLECULAR FORMULA: C18H21NO2S
MOLECULAR WEIGHT: 315.42984
SMILES: CSC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21N4O12P2-
MOLECULAR WEIGHT: 523.305062
SMILES: C1[C@@H]([C@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)[N+]4=C(C5=C(N=C4)N([C@@H]1O2)C=C5)N)O)O)[O-])[O-])O
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Product OPENEYE NAME: N2-(3-imidazol-1-ylpropyl)-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: N2-[3-(1-imidazolyl)propyl]-3-methyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-(3-imidazol-1-ylpropyl)-3-methyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: N2-(3-imidazol-1-ylpropyl)-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C20H21N7
MOLECULAR WEIGHT: 359.42764
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4C=CN=C4
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