CAS RN: 21434-03-7
CAS Name: 3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)-2-butenenitrile
OPENEYE Name: 3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
IUPAC Name: 3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
SYSTEMATIC NAME: 3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
MOLECULAR FORMULA: C28H21F2N2OP
MOLECULAR WEIGHT: 470.449707
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NC(=C(C#N)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F
Structure:
CAS RN: 13129-68-5
CAS Name: 1-(diethylaminomethyl)indole-2,3-dione
OPENEYE Name: 1-(diethylaminomethyl)indoline-2,3-dione
IUPAC Name: 1-(diethylaminomethyl)indole-2,3-dione
SYSTEMATIC NAME: 1-(diethylaminomethyl)indole-2,3-dione
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CCN(CC)CN1C2=CC=CC=C2C(=O)C1=O
Structure:
CAS RN: 13147-50-7
CAS Name: 1-(diethylaminomethyl)indole-2,3-dione
OPENEYE Name: 1-(diethylaminomethyl)indoline-2,3-dione
IUPAC Name: 1-(diethylaminomethyl)indole-2,3-dione
SYSTEMATIC NAME: 1-(diethylaminomethyl)indole-2,3-dione
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CCN(CC)CN1C2=CC=CC=C2C(=O)C1=O
Structure:
CAS RN: 34625-14-4
CAS Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(methylthio)-5-pyrrolo[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C13H17N5O5S
MOLECULAR WEIGHT: 355.36958
SMILES: CSC1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C(=O)N
Structure:
CAS RN: 2728-34-9
CAS Name: 2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
OPENEYE Name: 2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
IUPAC Name: 2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 2,2,4,4,6,6-hexakis(4-methylphenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
MOLECULAR FORMULA: C42H42N3O6P3
MOLECULAR WEIGHT: 777.720663
SMILES: CC1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)C)OC4=CC=C(C=C4)C)(OC5=CC=C(C=C5)C)OC6=CC=C(C=C6)C)OC7=CC=C(C=C7)C
Structure:
CAS RN: 53145-08-7
CAS Name: 1-diethoxyphosphorylethanone oxime
OPENEYE Name: 1-diethoxyphosphorylethanone oxime
IUPAC Name: N-(1-diethoxyphosphorylethylidene)hydroxylamine
SYSTEMATIC NAME: N-(1-diethoxyphosphorylethylidene)hydroxylamine
MOLECULAR FORMULA: C6H14NO4P
MOLECULAR WEIGHT: 195.153421
SMILES: CCOP(=O)(C(=NO)C)OCC
Structure:
CAS RN: 2055-40-5
CAS Name: (1-amino-2-methylbutyl)phosphonic acid
OPENEYE Name: (1-amino-2-methyl-butyl)phosphonic acid
IUPAC Name: (1-amino-2-methylbutyl)phosphonic acid
SYSTEMATIC NAME: (1-azanyl-2-methyl-butyl)phosphonic acid
MOLECULAR FORMULA: C5H14NO3P
MOLECULAR WEIGHT: 167.143321
SMILES: CCC(C)C(N)P(=O)(O)O
Structure:
CAS RN: 13153-26-9
CAS Name: 1-aminobutylphosphonic acid
OPENEYE Name: 1-aminobutylphosphonic acid
IUPAC Name: 1-aminobutylphosphonic acid
SYSTEMATIC NAME: 1-azanylbutylphosphonic acid
MOLECULAR FORMULA: C4H12NO3P
MOLECULAR WEIGHT: 153.116741
SMILES: CCCC(N)P(=O)(O)O
Structure:
CAS RN: 33193-65-6
CAS Name: 2-methoxy-1,4-diphenyl-2-butene-1,4-dione
OPENEYE Name: 2-methoxy-1,4-diphenyl-but-2-ene-1,4-dione
IUPAC Name: 2-methoxy-1,4-diphenylbut-2-ene-1,4-dione
SYSTEMATIC NAME: 2-methoxy-1,4-diphenyl-but-2-ene-1,4-dione
MOLECULAR FORMULA: C17H14O3
MOLECULAR WEIGHT: 266.29126
SMILES: COC(=CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 77160-91-9
CAS Name: 2-(phenylmethoxycarbonylamino)propanedioic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)propanedioic acid
IUPAC Name: 2-(phenylmethoxycarbonylamino)propanedioic acid
SYSTEMATIC NAME: 2-(phenylmethoxycarbonylamino)propanedioic acid
MOLECULAR FORMULA: C11H11NO6
MOLECULAR WEIGHT: 253.20814
SMILES: C1=CC=C(C=C1)COC(=O)NC(C(=O)O)C(=O)O
Structure:
CAS RN: 5458-43-5
CAS Name: 1,2,4-trichloro-5-(2-nitrophenoxy)benzene
OPENEYE Name: 1,2,4-trichloro-5-(2-nitrophenoxy)benzene
IUPAC Name: 1,2,4-trichloro-5-(2-nitrophenoxy)benzene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-5-(2-nitrophenoxy)benzene
MOLECULAR FORMULA: C12H6Cl3NO3
MOLECULAR WEIGHT: 318.53994
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC(=C(C=C2Cl)Cl)Cl
Structure:
CAS RN: 5126-06-7
CAS Name: 3-nitro-2-(3-pyridinyloxy)pyridine
OPENEYE Name: 3-nitro-2-(3-pyridyloxy)pyridine
IUPAC Name: 3-nitro-2-pyridin-3-yloxypyridine
SYSTEMATIC NAME: 3-nitro-2-pyridin-3-yloxy-pyridine
MOLECULAR FORMULA: C10H7N3O3
MOLECULAR WEIGHT: 217.18088
SMILES: C1=CC(=CN=C1)OC2=C(C=CC=N2)[N+](=O)[O-]
Structure:
CAS RN: 21520-79-6
CAS Name: 3-[[4-[3-(2,4-diamino-6-methyl-5-pyrimidinyl)propoxy]anilino]-oxomethyl]benzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 3-[[4-[3-(2,4-diamino-6-methyl-pyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 3-[[4-[3-(2,4-diamino-6-methylpyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 3-[[4-[3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C23H28FN5O7S2
MOLECULAR WEIGHT: 569.626123
SMILES: CCS(=O)(=O)O.CC1=C(C(=NC(=N1)N)N)CCCOC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)F
Structure:
CAS RN: 29097-00-5
CAS Name: 5-amino-1H-pyrazole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 5-amino-1H-pyrazole-4-carboxylate
IUPAC Name: methyl 5-amino-1H-pyrazole-4-carboxylate
SYSTEMATIC NAME: methyl 5-azanyl-1H-pyrazole-4-carboxylate
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: COC(=O)C1=C(NN=C1)N
Structure:
CAS RN: 23113-01-1
CAS Name: 1-adamantanecarboxylic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl adamantane-1-carboxylate
IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate
SYSTEMATIC NAME: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl adamantane-1-carboxylate
MOLECULAR FORMULA: C20H27N3O6
MOLECULAR WEIGHT: 405.44488
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O
Structure:
CAS RN: 14802-03-0
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxypropyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C17H20N2O5S
MOLECULAR WEIGHT: 364.4161
SMILES: CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
Structure:
CAS RN: 147-55-7
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxypropyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C17H20N2O5S
MOLECULAR WEIGHT: 364.4161
SMILES: CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
Structure:
CAS RN: 144-41-2
CAS Name: 2-[(2-chloro-1-oxo-2-phenylethyl)amino]-2-phenylacetic acid
OPENEYE Name: 2-[(2-chloro-2-phenyl-acetyl)amino]-2-phenyl-acetic acid
IUPAC Name: 2-[(2-chloro-2-phenylacetyl)amino]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[(2-chloranyl-2-phenyl-ethanoyl)amino]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C16H14ClNO3
MOLECULAR WEIGHT: 303.74026
SMILES: C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(C2=CC=CC=C2)Cl
Structure:
CAS RN: 47767-22-6
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-2-phenylacetic acid
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)-2-phenyl-acetic acid
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-2-phenylacetic acid
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: C1=CC=C(C=C1)C(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5125-61-1
CAS Name: 2-(2-ethoxy-2-oxoethyl)-2,5,5-trimethyl-4-thiazolidinecarboxylic acid
OPENEYE Name: 2-(2-ethoxy-2-oxo-ethyl)-2,5,5-trimethyl-thiazolidine-4-carboxylic acid
IUPAC Name: 2-(2-ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 2-(2-ethoxy-2-oxidanylidene-ethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C11H19NO4S
MOLECULAR WEIGHT: 261.33786
SMILES: CCOC(=O)CC1(NC(C(S1)(C)C)C(=O)O)C
Structure:
CAS RN: 69243-44-3
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-2-phenylacetic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]-2-phenyl-acetic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]-2-phenylacetic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C10H10ClNO3
MOLECULAR WEIGHT: 227.6443
SMILES: C1=CC=C(C=C1)C(C(=O)O)NC(=O)CCl
Structure:
CAS RN: 15840-95-6
CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid
OPENEYE Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetic acid
IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetic acid
SYSTEMATIC NAME: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid
MOLECULAR FORMULA: C10H6N2O6
MOLECULAR WEIGHT: 250.16444
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)O
Structure:
CAS RN: 15784-35-7
CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid
OPENEYE Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetic acid
IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetic acid
SYSTEMATIC NAME: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid
MOLECULAR FORMULA: C10H6N2O6
MOLECULAR WEIGHT: 250.16444
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)O
Structure:
CAS RN: 1514-82-5
CAS Name: 2-bromo-3,3,3-trifluoro-1-propene
OPENEYE Name: 2-bromo-3,3,3-trifluoro-prop-1-ene
IUPAC Name: 2-bromo-3,3,3-trifluoroprop-1-ene
SYSTEMATIC NAME: 2-bromanyl-3,3,3-tris(fluoranyl)prop-1-ene
MOLECULAR FORMULA: C3H2BrF3
MOLECULAR WEIGHT: 174.94719
SMILES: C=C(C(F)(F)F)Br
Structure:
CAS RN: 40979-04-2
CAS Name: 1,1,1,3,3,3-hexafluoropropan-2-yloxy(trimethyl)silane
OPENEYE Name: trimethyl-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]silane
IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yloxy(trimethyl)silane
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yloxy-trimethyl-silane
MOLECULAR FORMULA: C6H10F6OSi
MOLECULAR WEIGHT: 240.218919
SMILES: C[Si](C)(C)OC(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 22793-63-1
CAS Name: 6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
OPENEYE Name: 6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
IUPAC Name: 6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
SYSTEMATIC NAME: 6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
MOLECULAR FORMULA: C14H17N
MOLECULAR WEIGHT: 199.29148
SMILES: C1CCCC2=C(CC1)C3=CC=CC=C3N2
Structure:
CAS RN: 15623-83-3
CAS Name: tris(trimethylsilyl)phosphine
OPENEYE Name: tris(trimethylsilyl)phosphane
IUPAC Name: tris(trimethylsilyl)phosphane
SYSTEMATIC NAME: tris(trimethylsilyl)phosphane
MOLECULAR FORMULA: C9H27PSi3
MOLECULAR WEIGHT: 250.540941
SMILES: C[Si](C)(C)P([Si](C)(C)C)[Si](C)(C)C
Structure:
CAS RN: 17321-26-5
CAS Name: [amino-[(amino-chloro-diphenylphosphoranyl)-(dimethylamino)amino]-chloro-phenylphosphoranyl]benzene
OPENEYE Name: [amino-[(amino-chloro-diphenyl-$l^{5}-phosphanyl)-(dimethylamino)amino]-chloro-phenyl-$l^{5}-phosphanyl]benzene
IUPAC Name: [amino-[(amino-chloro-diphenyl-$l^{5}-phosphanyl)-(dimethylamino)amino]-chloro-phenyl-$l^{5}-phosphanyl]benzene
SYSTEMATIC NAME: [azanyl-[(azanyl-chloranyl-diphenyl-$l^{5}-phosphanyl)-(dimethylamino)amino]-chloranyl-phenyl-$l^{5}-phosphanyl]benzene
MOLECULAR FORMULA: C26H30Cl2N4P2
MOLECULAR WEIGHT: 531.396722
SMILES: CN(C)N(P(C1=CC=CC=C1)(C2=CC=CC=C2)(N)Cl)P(C3=CC=CC=C3)(C4=CC=CC=C4)(N)Cl
Structure:
CAS RN: 100311-01-1
CAS Name: [4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]arsonic acid
OPENEYE Name: [4-(2,4,6-triaminopyrimidin-5-yl)azophenyl]arsonic acid
IUPAC Name: [4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]phenyl]arsonic acid
SYSTEMATIC NAME: [4-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]phenyl]arsonic acid
MOLECULAR FORMULA: C10H12AsN7O3
MOLECULAR WEIGHT: 353.16898
SMILES: C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)[As](=O)(O)O
Structure:
CAS RN: 77474-06-7
CAS Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-diol
OPENEYE Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-diol
IUPAC Name: 1,4,5,8-tetrahydronaphthalene-4a,8a-diol
SYSTEMATIC NAME: 1,4,5,8-tetrahydronaphthalene-4a,8a-diol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: C1C=CCC2(C1(CC=CC2)O)O
Structure:
CAS RN: 91820-04-1
CAS Name: (2-phenylcyclopropyl)urea
OPENEYE Name: (2-phenylcyclopropyl)urea
IUPAC Name: (2-phenylcyclopropyl)urea
SYSTEMATIC NAME: 1-(2-phenylcyclopropyl)urea
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1C(C1NC(=O)N)C2=CC=CC=C2
Structure:
CAS RN: 939-05-9
CAS Name: (2,2-diphenylcyclopropyl)urea
OPENEYE Name: (2,2-diphenylcyclopropyl)urea
IUPAC Name: (2,2-diphenylcyclopropyl)urea
SYSTEMATIC NAME: 1-(2,2-diphenylcyclopropyl)urea
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)N
Structure:
CAS RN: 19757-64-3
CAS Name: cyclopropylurea
OPENEYE Name: cyclopropylurea
IUPAC Name: cyclopropylurea
SYSTEMATIC NAME: 1-cyclopropylurea
MOLECULAR FORMULA: C4H8N2O
MOLECULAR WEIGHT: 100.11912
SMILES: C1CC1NC(=O)N
Structure:
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