CAS RN: 4433-08-3
CAS Name: 2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-6-methoxy-4-prop-2-enylphenol
OPENEYE Name: 4-allyl-2-(5-allyl-2-hydroxy-3-methoxy-phenyl)-6-methoxy-phenol
IUPAC Name: 2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-6-methoxy-4-prop-2-enylphenol
SYSTEMATIC NAME: 2-methoxy-6-(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: COC1=C(C(=CC(=C1)CC=C)C2=CC(=CC(=C2O)OC)CC=C)O
Structure:
CAS RN: 4356-84-7
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C7H12O7
MOLECULAR WEIGHT: 208.16598
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Structure:
CAS RN: 4351-55-7
CAS Name: formic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C28H46O2
MOLECULAR WEIGHT: 414.66364
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C
Structure:
CAS RN: 5427-76-9
CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C20H25N10O9P
MOLECULAR WEIGHT: 580.447861
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC6=C5N=CN=C6N)O
Structure:
CAS RN: 7154-11-2
CAS Name: (2S)-2-[[[(2S)-1-[[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]am
OPENEYE Name: (2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino
IUPAC Name: (2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-4-me
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[[(4R,7S,10S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]ca
MOLECULAR FORMULA: C41H62N10O12S2
MOLECULAR WEIGHT: 951.12078
SMILES: CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)O)CC(=O)N)CCC(=O)N
Structure:
CAS RN: 4282-07-9
CAS Name: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
OPENEYE Name: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
MOLECULAR FORMULA: C23H42N2
MOLECULAR WEIGHT: 346.59298
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N)C)C)N(C)C
Structure:
CAS RN: 5423-30-3
CAS Name: (2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacyc
OPENEYE Name: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-5-amino-1-[(2-amino-2-oxo-et
IUPAC Name: (2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycl
SYSTEMATIC NAME: (2S)-N-[(2S)-6-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]-1-[[(4R,7S,10S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,
MOLECULAR FORMULA: C43H67N13O12S2
MOLECULAR WEIGHT: 1022.20198
SMILES: CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Structure:
CAS RN: 4271-28-7
CAS Name: N-[(2S,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]acetamide
OPENEYE Name: N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-(hydroxymethyl)pentyl]acetamide
IUPAC Name: N-[(2S,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4S,5R)-1,3,4,5,6-pentakis(oxidanyl)hexan-2-yl]ethanamide
MOLECULAR FORMULA: C8H17NO6
MOLECULAR WEIGHT: 223.22368
SMILES: CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 4238-85-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27N3O
MOLECULAR WEIGHT: 337.45858
SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C
Structure:
CAS RN: 5417-22-1
CAS Name: 5-[(3S,5R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(3S,5R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(3S,5R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-3,11,14-tris(oxidanyl)-12-oxidanylidene-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H30O6
MOLECULAR WEIGHT: 414.4914
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2=C(C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
Structure:
CAS RN: 5415-41-8
CAS Name: (2S,4S,5S)-hexane-1,2,4,5-tetrol
OPENEYE Name: (2S,4S,5S)-hexane-1,2,4,5-tetrol
IUPAC Name: (2S,4S,5S)-hexane-1,2,4,5-tetrol
SYSTEMATIC NAME: (2S,4S,5S)-hexane-1,2,4,5-tetrol
MOLECULAR FORMULA: C6H14O4
MOLECULAR WEIGHT: 150.17296
SMILES: C[C@@H]([C@H](C[C@@H](CO)O)O)O
Structure:
CAS RN: 5411-89-2
CAS Name: (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonitrile
OPENEYE Name: (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonitrile
IUPAC Name: (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonitrile
SYSTEMATIC NAME: (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-6-methyl-1,6,10,11,12a-pentakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carbonitrile
MOLECULAR FORMULA: C22H22N2O7
MOLECULAR WEIGHT: 426.41928
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C#N)N(C)C)O
Structure:
CAS RN: 7150-10-9
CAS Name: (2S)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: (2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol hydrochloride
IUPAC Name: (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C16H22ClNO2
MOLECULAR WEIGHT: 295.80438
SMILES: CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O.Cl
Structure:
CAS RN: 4199-10-4
CAS Name: (2S)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: (2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol hydrochloride
IUPAC Name: (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C16H22ClNO2
MOLECULAR WEIGHT: 295.80438
SMILES: CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O.Cl
Structure:
CAS RN: 4130-19-2
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen
IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphor
MOLECULAR FORMULA: C20H28N10O21P4
MOLECULAR WEIGHT: 868.385764
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O)NC(=NC2=O)N
Structure:
CAS RN: 4119-52-2
CAS Name: iron(3+) trithiocyanate
OPENEYE Name: ferric trithiocyanate
IUPAC Name: iron(3+) trithiocyanate
SYSTEMATIC NAME: iron(3+) trithiocyanate
MOLECULAR FORMULA: C3FeN3S3
MOLECULAR WEIGHT: 230.0922
SMILES: C(#N)[S-].C(#N)[S-].C(#N)[S-].[Fe+3]
Structure:
CAS RN: 5422-35-5
CAS Name: 3,5-diphenyl-1,2,4-thiadiazole
OPENEYE Name: 3,5-diphenyl-1,2,4-thiadiazole
IUPAC Name: 3,5-diphenyl-1,2,4-thiadiazole
SYSTEMATIC NAME: 3,5-diphenyl-1,2,4-thiadiazole
MOLECULAR FORMULA: C14H10N2S
MOLECULAR WEIGHT: 238.3076
SMILES: C1=CC=C(C=C1)C2=NSC(=N2)C3=CC=CC=C3
Structure:
CAS RN: 4115-15-5
CAS Name: 3,5-diphenyl-1,2,4-thiadiazole
OPENEYE Name: 3,5-diphenyl-1,2,4-thiadiazole
IUPAC Name: 3,5-diphenyl-1,2,4-thiadiazole
SYSTEMATIC NAME: 3,5-diphenyl-1,2,4-thiadiazole
MOLECULAR FORMULA: C14H10N2S
MOLECULAR WEIGHT: 238.3076
SMILES: C1=CC=C(C=C1)C2=NSC(=N2)C3=CC=CC=C3
Structure:
CAS RN: 5347-13-7
CAS Name: (8R,9S,10R,13R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13R,17S)-10,13-dimethyl-14,17-bis(oxidanyl)-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4O)O)C
Structure:
CAS RN: 4075-20-1
CAS Name: (8R,9S,10R,13R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13R,17S)-10,13-dimethyl-14,17-bis(oxidanyl)-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4O)O)C
Structure:
CAS RN: 5325-95-1
CAS Name: 1,1-dinitrocyclohexane
OPENEYE Name: 1,1-dinitrocyclohexane
IUPAC Name: 1,1-dinitrocyclohexane
SYSTEMATIC NAME: 1,1-dinitrocyclohexane
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: C1CCC(CC1)([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3786-88-7
CAS Name: 4-amino-N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-pyrrolecarboxamide
OPENEYE Name: 4-amino-N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
IUPAC Name: 4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: 4-azanyl-N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C21H27N9O3
MOLECULAR WEIGHT: 453.49758
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)N
Structure:
CAS RN: 3786-88-7
CAS Name: 4-amino-N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-pyrrolecarboxamide hydrochloride
OPENEYE Name: 4-amino-N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide hydrochloride
IUPAC Name: 4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide hydrochloride
SYSTEMATIC NAME: 4-azanyl-N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide hydrochloride
MOLECULAR FORMULA: C21H28ClN9O3
MOLECULAR WEIGHT: 489.95852
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)N.Cl
Structure:
CAS RN: 3785-44-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H64N4O4
MOLECULAR WEIGHT: 713.00336
SMILES: CC1=[N+]2CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)NCCCCCCCCCCNC(=C1)C5=CC=CC=C52)C.CC(=O)[O-].CC(=O)[O-]
Structure:
CAS RN: 45079-74-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H64N4O4
MOLECULAR WEIGHT: 713.00336
SMILES: CC1=[N+]2CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)NCCCCCCCCCCNC(=C1)C5=CC=CC=C52)C.CC(=O)[O-].CC(=O)[O-]
Structure:
CAS RN: 42487-29-6
CAS Name: 2-hydroxy-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-phenylacetic acid
OPENEYE Name: 2-hydroxy-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-phenyl-acetic acid
IUPAC Name: 2-hydroxy-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxidanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C22H25NO3
MOLECULAR WEIGHT: 351.4388
SMILES: CN1C2CCC1CC(C2)C3=CC(=CC=C3)C(C4=CC=CC=C4)(C(=O)O)O
Structure:
CAS RN: 107132-16-1
CAS Name: [(2S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H15N2O7P
MOLECULAR WEIGHT: 306.209061
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O
Structure:
CAS RN: 3705-45-1
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-tritiopyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-tritio-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-tritiopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-tritio-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 246.209489
SMILES: [3H]C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 40736-35-4
CAS Name: (8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
OPENEYE Name: (8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
IUPAC Name: (8S,9S,10R,11S,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
SYSTEMATIC NAME: (8S,9S,10R,11S,13S,14S)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
MOLECULAR FORMULA: C20H28O5
MOLECULAR WEIGHT: 348.43332
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4(C(=O)O)O)C)O
Structure:
CAS RN: 3529-04-2
CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium bromide
OPENEYE Name: benzyl-hexadecyl-dimethyl-ammonium bromide
IUPAC Name: benzyl-hexadecyl-dimethylazanium bromide
SYSTEMATIC NAME: hexadecyl-dimethyl-(phenylmethyl)azanium bromide
MOLECULAR FORMULA: C25H46BrN
MOLECULAR WEIGHT: 440.54344
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
Structure:
CAS RN: 39774-26-0
CAS Name: methyl(trioctyl)silane
OPENEYE Name: methyl(trioctyl)silane
IUPAC Name: methyl(trioctyl)silane
SYSTEMATIC NAME: methyl(trioctyl)silane
MOLECULAR FORMULA: C25H54Si
MOLECULAR WEIGHT: 382.78176
SMILES: CCCCCCCC[Si](C)(CCCCCCCC)CCCCCCCC
Structure:
CAS RN: 3506-17-0
CAS Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
MOLECULAR FORMULA: C14H25N3O15P2
MOLECULAR WEIGHT: 537.306922
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O
Structure:
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