CAS RN: 822-58-2
CAS Name: 4-bicyclo[3.1.0]hexanol
OPENEYE Name: bicyclo[3.1.0]hexan-4-ol
IUPAC Name: bicyclo[3.1.0]hexan-4-ol
SYSTEMATIC NAME: bicyclo[3.1.0]hexan-4-ol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: C1CC(C2C1C2)O
Structure:
CAS RN: 25119-65-7
CAS Name: furan-2,5-dione; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: furan-2,5-dione; methyl 2-methylprop-2-enoate
IUPAC Name: furan-2,5-dione; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: furan-2,5-dione; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C9H10O5
MOLECULAR WEIGHT: 198.1727
SMILES: CC(=C)C(=O)OC.C1=CC(=O)OC1=O
Structure:
CAS RN: 38752-62-4
CAS Name: 1,2-dimethyl-3-phenylindole
OPENEYE Name: 1,2-dimethyl-3-phenyl-indole
IUPAC Name: 1,2-dimethyl-3-phenylindole
SYSTEMATIC NAME: 1,2-dimethyl-3-phenyl-indole
MOLECULAR FORMULA: C16H15N
MOLECULAR WEIGHT: 221.297
SMILES: CC1=C(C2=CC=CC=C2N1C)C3=CC=CC=C3
Structure:
CAS RN: 547-07-9
CAS Name: 3-[3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-11,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O9
MOLECULAR WEIGHT: 550.68084
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC)O
Structure:
CAS RN: 4745-68-0
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O8
MOLECULAR WEIGHT: 534.68144
SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
Structure:
CAS RN: 466-07-9
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O8
MOLECULAR WEIGHT: 534.68144
SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
Structure:
CAS RN: 21943-56-6
CAS Name: 1'-methyl-2'-spiro[1,3-dihydrobenzimidazole-2,3'-indole]one
OPENEYE Name: 1'-methylspiro[1,3-dihydrobenzimidazole-2,3'-indoline]-2'-one
IUPAC Name: 1'-methylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
SYSTEMATIC NAME: 1'-methylspiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
MOLECULAR FORMULA: C15H13N3O
MOLECULAR WEIGHT: 251.28322
SMILES: CN1C2=CC=CC=C2C3(C1=O)NC4=CC=CC=C4N3
Structure:
CAS RN: 5909-37-5
CAS Name: 1-(3-fluoro-4-methoxyphenyl)-1-propanone
OPENEYE Name: 1-(3-fluoro-4-methoxy-phenyl)propan-1-one
IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(3-fluoranyl-4-methoxy-phenyl)propan-1-one
MOLECULAR FORMULA: C10H11FO2
MOLECULAR WEIGHT: 182.191543
SMILES: CCC(=O)C1=CC(=C(C=C1)OC)F
Structure:
CAS RN: 20389-10-0
CAS Name: 2-(3-chlorophenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 2-(3-chlorophenyl)quinoline-4-carboxylic acid
IUPAC Name: 2-(3-chlorophenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(3-chlorophenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H10ClNO2
MOLECULAR WEIGHT: 283.7091
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Cl)C(=O)O
Structure:
CAS RN: 6863-73-6
CAS Name: 3-chloro-2-pyrazinamine
OPENEYE Name: 3-chloropyrazin-2-amine
IUPAC Name: 3-chloropyrazin-2-amine
SYSTEMATIC NAME: 3-chloranylpyrazin-2-amine
MOLECULAR FORMULA: C4H4ClN3
MOLECULAR WEIGHT: 129.54766
SMILES: C1=CN=C(C(=N1)N)Cl
Structure:
CAS RN: 27486-80-2
CAS Name: 2-amino-3-[[9-(4-chlorophenyl)-9-fluorenyl]thio]propanoic acid
OPENEYE Name: 2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanyl-propanoic acid
IUPAC Name: 2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C22H18ClNO2S
MOLECULAR WEIGHT: 395.90182
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)SCC(C(=O)O)N
Structure:
CAS RN: 17223-85-7
CAS Name: 9-carbazolamine
OPENEYE Name: carbazol-9-amine
IUPAC Name: carbazol-9-amine
SYSTEMATIC NAME: carbazol-9-amine
MOLECULAR FORMULA: C12H10N2
MOLECULAR WEIGHT: 182.2212
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2N
Structure:
CAS RN: 97716-27-3
CAS Name: 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
OPENEYE Name: 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
IUPAC Name: 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)C
Structure:
CAS RN: 5594-02-5
CAS Name: 2-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(3-methylbut-2-enyl)-1,4-benzoquinone
IUPAC Name: 2-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=CCC1=CC(=O)C=CC1=O)C
Structure:
CAS RN: 110301-23-0
CAS Name: carbamimidic acid (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: 2-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)isourea
IUPAC Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidate
SYSTEMATIC NAME: (17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidate
MOLECULAR FORMULA: C22H34N2O2
MOLECULAR WEIGHT: 358.51756
SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=N)N)C)C
Structure:
CAS RN: 34939-17-8
CAS Name: carbamimidoselenoic acid (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester; 4-methylbenzenesulfonic acid
OPENEYE Name: 2-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)isoselenourea; 4-methylbenzenesulfonic acid
IUPAC Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidoselenoate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: (17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidoselenoate; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C29H42N2O4SSe
MOLECULAR WEIGHT: 593.67978
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[Se]C(=N)N)C)C
Structure:
CAS RN: 21419-63-6
CAS Name: 4-[[[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylamino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 4-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C22H30FN7O6S2
MOLECULAR WEIGHT: 571.645303
SMILES: CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F
Structure:
CAS RN: 25816-87-9
CAS Name: N'-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-N,N-dimethylmethanimidamide
OPENEYE Name: N'-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-N,N-dimethyl-formamidine
IUPAC Name: N'-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C13H18N6O4
MOLECULAR WEIGHT: 322.31982
SMILES: CN(C)C=NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 23284-23-3
CAS Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]-3-oxolanyl]methyl]-1,3-benzodioxole
OPENEYE Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-3-yl]methyl]-1,3-benzodioxole
IUPAC Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl]-1,3-benzodioxole
MOLECULAR FORMULA: C22H26O6
MOLECULAR WEIGHT: 386.43824
SMILES: COC1=CC(=CC(=C1OC)OC)CC2COCC2CC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 73465-36-8
CAS Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]-3-oxolanyl]methyl]-1,3-benzodioxole
OPENEYE Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-3-yl]methyl]-1,3-benzodioxole
IUPAC Name: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl]-1,3-benzodioxole
MOLECULAR FORMULA: C22H26O6
MOLECULAR WEIGHT: 386.43824
SMILES: COC1=CC(=CC(=C1OC)OC)CC2COCC2CC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 559-82-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO8
MOLECULAR WEIGHT: 509.63222
SMILES: CC1CCC2C(C3(C(CC4(C5CCC6C(=O)C(CCC6(C5(CC4(C3CN2C1)O)O)C)O)O)O)O)(C)O
Structure:
CAS RN: 870-30-4
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
OPENEYE Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
MOLECULAR FORMULA: C20H25NO4
MOLECULAR WEIGHT: 343.4168
SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)O
Structure:
CAS RN: 6665-72-1
CAS Name: 5-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3O
Structure:
CAS RN: 67424-93-5
CAS Name: 5-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3O
Structure:
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