Product OPENEYE NAME: 3-methyl-N2-(3-morpholinopropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methyl-N2-[3-(4-morpholinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methyl-2-N-(3-morpholin-4-ylpropyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methyl-N2-(3-morpholin-4-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C21H26N6O
MOLECULAR WEIGHT: 378.47074
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4CCOCC4
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Product OPENEYE NAME: 3-methyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methyl-N2-[3-(4-methyl-1-piperazinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C22H29N7
MOLECULAR WEIGHT: 391.51256
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4CCN(CC4)C
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Product OPENEYE NAME: N2-[4-(dimethylamino)butyl]-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: N2-[4-(dimethylamino)butyl]-3-methyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-[4-(dimethylamino)butyl]-3-methyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: N2-[4-(dimethylamino)butyl]-3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C20H26N6
MOLECULAR WEIGHT: 350.46064
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCCN(C)C
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Product OPENEYE NAME: 2-[(2S,5R,8S,11S)-2,5-dibenzyl-8-(3-guanidinopropyl)-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide
CAS Name: 2-[(2S,5R,8S,11S)-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-2,5-bis(phenylmethyl)-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide
IUPAC NAME: 2-[(2S,5R,8S,11S)-2,5-dibenzyl-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide
SYSTEMATIC NAME: 2-[(2S,5R,8S,11S)-8-[3-[bis(azanyl)methylideneamino]propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexakis(oxidanylidene)-2,5-bis(phenylmethyl)-1,4,7,10,13,17-hexazacyclotricos-13-yl]ethanamide
MOLECULAR FORMULA: C46H59N11O7
MOLECULAR WEIGHT: 878.03016
SMILES: C1CCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(CCCNC(=O)C1)CC(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=CC=C4)CC5=CC=CC=C5
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Product OPENEYE NAME: 4-(4-hydroxybutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-[(4-hydroxy-1-oxobutyl)amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-(4-hydroxybutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-(4-oxidanylbutanoylamino)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C18H17F3N2O4
MOLECULAR WEIGHT: 382.33379
SMILES: C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)CCCO)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dibutylamino)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-(dibutylamino)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-(dibutylamino)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-(dibutylamino)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: CCCCN(CCCC)CCCN1CCN(CC1)CCCNC(=O)[C@]23CC[C@H]([C@@H]([C@H]2C4=CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3)C)C)(C)C)OC(=O)C)C)C)C
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(dipropylamino)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-(dipropylamino)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-(dipropylamino)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-(dipropylamino)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: C48H84N4O3
MOLECULAR WEIGHT: 765.20556
SMILES: CCCN(CCC)CCCN1CCN(CC1)CCCNC(=O)[C@]23CC[C@H]([C@@H]([C@H]2C4=CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3)C)C)(C)C)OC(=O)C)C)C)C
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Product OPENEYE NAME: 4-(dimethylamino)-N-[[4-[[(2-sulfanylacetyl)amino]methyl]phenyl]methyl]benzamide
CAS Name: 4-(dimethylamino)-N-[[4-[[(2-mercapto-1-oxoethyl)amino]methyl]phenyl]methyl]benzamide
IUPAC NAME: 4-(dimethylamino)-N-[[4-[[(2-sulfanylacetyl)amino]methyl]phenyl]methyl]benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-[[4-[(2-sulfanylethanoylamino)methyl]phenyl]methyl]benzamide
MOLECULAR FORMULA: C19H23N3O2S
MOLECULAR WEIGHT: 357.46982
SMILES: CN(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)CNC(=O)CS
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Product OPENEYE NAME: 1-[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-(6-fluoranyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H23FN4O5
MOLECULAR WEIGHT: 430.429523
SMILES: COC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C=C3)F)NC(=O)NCCCCCC(=O)NO
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Product OPENEYE NAME: 1-[5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-(5-fluoranyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H23FN4O5
MOLECULAR WEIGHT: 430.429523
SMILES: COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)F)NC(=O)NCCCCCC(=O)NO
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Product OPENEYE NAME: 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H22Cl2N4O5
MOLECULAR WEIGHT: 481.32918
SMILES: COC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)Cl)Cl)NC(=O)NCCCCCC(=O)NO
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MOLECULAR FORMULA: C21H24N5O12P2-
MOLECULAR WEIGHT: 600.389082
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(=N5)C6=CC=CC=C6)N)O)O)[O-])[O-])O
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MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C
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MOLECULAR FORMULA: C16H22N5O13P2-
MOLECULAR WEIGHT: 554.319102
SMILES: COC1=NC2=C3N1[C@H]4C[C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)[N+](=C2N)C=N3)O)O)[O-])[O-])O
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Product OPENEYE NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanesulfonic acid
CAS Name: 2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanesulfonic acid
IUPAC NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C15H14BrN5O3S
MOLECULAR WEIGHT: 424.27236
SMILES: C1=CC(=C(C(=C1)Br)NCCS(=O)(=O)O)NC2=NC=NC3=C2C=NC=C3
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