CAS RN: 10173-74-7
CAS Name: 5,6-dimethyl-2-(2-nitrophenyl)-1H-benzimidazole
OPENEYE Name: 5,6-dimethyl-2-(2-nitrophenyl)-1H-benzimidazole
IUPAC Name: 5,6-dimethyl-2-(2-nitrophenyl)-1H-benzimidazole
SYSTEMATIC NAME: 5,6-dimethyl-2-(2-nitrophenyl)-1H-benzimidazole
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: CC1=CC2=C(C=C1C)N=C(N2)C3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 5805-47-0
CAS Name: 6-nitro-2-(2-nitrophenyl)-1H-benzimidazole
OPENEYE Name: 6-nitro-2-(2-nitrophenyl)-1H-benzimidazole
IUPAC Name: 6-nitro-2-(2-nitrophenyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-nitro-2-(2-nitrophenyl)-1H-benzimidazole
MOLECULAR FORMULA: C13H8N4O4
MOLECULAR WEIGHT: 284.22702
SMILES: C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 58351-48-7
CAS Name: 6H-indolo[3,2-b]quinoxaline-1,4-dione
OPENEYE Name: 6H-indolo[3,2-b]quinoxaline-1,4-dione
IUPAC Name: 6H-indolo[3,2-b]quinoxaline-1,4-dione
SYSTEMATIC NAME: 6H-indolo[3,2-b]quinoxaline-1,4-dione
MOLECULAR FORMULA: C14H7N3O2
MOLECULAR WEIGHT: 249.22428
SMILES: C1=CC=C2C(=C1)C3=C(N2)N=C4C(=O)C=CC(=O)C4=N3
Structure:
CAS RN: 29528-22-1
CAS Name: 2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
OPENEYE Name: 2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
IUPAC Name: 2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
SYSTEMATIC NAME: 2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
MOLECULAR FORMULA: C12H10N4
MOLECULAR WEIGHT: 210.2346
SMILES: C1=CC=C(C(=C1)C2=NC3=C(N2)C=NC=C3)N
Structure:
CAS RN: 18091-75-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H7N5
MOLECULAR WEIGHT: 221.21748
SMILES: C1=CC=C2C(=C1)C3=NC4=C(N3N=N2)N=CC=C4
Structure:
CAS RN: 18091-77-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H7N5
MOLECULAR WEIGHT: 221.21748
SMILES: C1=CC=C2C(=C1)C3=NC4=C(N3N=N2)C=NC=C4
Structure:
CAS RN: 30902-36-4
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-hydroxy-4-imino-2-pyrimidinone
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-hydroxy-4-imino-pyrimidin-2-one
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-iminopyrimidin-2-one
SYSTEMATIC NAME: 4-azanylidene-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-oxidanyl-pyrimidin-2-one
MOLECULAR FORMULA: C9H13N3O6
MOLECULAR WEIGHT: 259.21602
SMILES: C1=CN(C(=O)N(C1=N)O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 51145-58-5
CAS Name: 3-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2H-triazolo[4,5-d]pyrimidin-7-one
OPENEYE Name: 3-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2H-triazolo[4,5-d]pyrimidin-7-one
IUPAC Name: 3-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2H-triazolo[4,5-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-[3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
MOLECULAR FORMULA: C10H13N5O3
MOLECULAR WEIGHT: 251.24192
SMILES: C1C(CC(C1CO)O)N2C3=NC=NC(=O)C3=NN2
Structure:
CAS RN: 53976-17-3
CAS Name: 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-ethoxy-2-oxo-ethyl)-(p-tolylsulfonyl)amino]-4-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C24H25NO6S2
MOLECULAR WEIGHT: 487.5884
SMILES: CCOC(=O)CN(C1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 53976-16-2
CAS Name: 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-ethoxy-2-oxo-ethyl)-(p-tolylsulfonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C20H25NO6S2
MOLECULAR WEIGHT: 439.5456
SMILES: CCOC(=O)CN(C1=C(C(=C(S1)C)C)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 53976-12-8
CAS Name: 4,5-dimethyl-2-[(4-methylphenyl)sulfonylamino]-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4,5-dimethyl-2-(p-tolylsulfonylamino)thiophene-3-carboxylate
IUPAC Name: ethyl 4,5-dimethyl-2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4,5-dimethyl-2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H19NO4S2
MOLECULAR WEIGHT: 353.45636
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 53976-15-1
CAS Name: 5-methyl-2-[(4-methylphenyl)sulfonylamino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-methyl-4-phenyl-2-(p-tolylsulfonylamino)thiophene-3-carboxylate
IUPAC Name: ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4S2
MOLECULAR WEIGHT: 415.52574
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 53976-19-5
CAS Name: 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-ethoxy-2-oxo-ethyl)-(p-tolylsulfonyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]-5-methyl-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C25H27NO6S2
MOLECULAR WEIGHT: 501.61498
SMILES: CCOC(=O)CN(C1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 53976-18-4
CAS Name: 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-ethoxy-2-oxo-ethyl)-(p-tolylsulfonyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4-ethyl-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]-4-ethyl-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C21H27NO6S2
MOLECULAR WEIGHT: 453.57218
SMILES: CCC1=C(SC(=C1C(=O)OCC)N(CC(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C)C
Structure:
CAS RN: 25878-33-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H12N3O7P
MOLECULAR WEIGHT: 305.181241
SMILES: C1=CN2C3C(C(C(O3)CO)OP(=O)(O)O)OC2=NC1=N
Structure:
CAS RN: 26449-57-0
CAS Name: 1-(9H-fluoren-2-yl)-2-phenylhydrazine
OPENEYE Name: 1-(9H-fluoren-2-yl)-2-phenyl-hydrazine
IUPAC Name: 1-(9H-fluoren-2-yl)-2-phenylhydrazine
SYSTEMATIC NAME: 1-(9H-fluoren-2-yl)-2-phenyl-diazane
MOLECULAR FORMULA: C19H16N2
MOLECULAR WEIGHT: 272.34374
SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)NNC4=CC=CC=C4
Structure:
CAS RN: 25698-65-1
CAS Name: 6-(6-chrysenyl)benzo[d][2]benzazepine-5,7-dione
OPENEYE Name: 6-chrysen-6-ylbenzo[d][2]benzazepine-5,7-dione
IUPAC Name: 6-chrysen-6-ylbenzo[d][2]benzazepine-5,7-dione
SYSTEMATIC NAME: 6-chrysen-6-ylbenzo[d][2]benzazepine-5,7-dione
MOLECULAR FORMULA: C32H19NO2
MOLECULAR WEIGHT: 449.49876
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N5C(=O)C6=CC=CC=C6C7=CC=CC=C7C5=O
Structure:
CAS RN: 25680-01-7
CAS Name: 2-[2-[[(7-fluoro-9H-fluoren-2-yl)amino]-oxomethyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-[(7-fluoro-9H-fluoren-2-yl)carbamoyl]phenyl]benzoic acid
IUPAC Name: 2-[2-[(7-fluoro-9H-fluoren-2-yl)carbamoyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[(7-fluoranyl-9H-fluoren-2-yl)carbamoyl]phenyl]benzoic acid
MOLECULAR FORMULA: C27H18FNO3
MOLECULAR WEIGHT: 423.435123
SMILES: C1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O)C5=C1C=C(C=C5)F
Structure:
CAS RN: 27154-33-2
CAS Name: 2-[2-[(9H-fluoren-4-ylamino)-oxomethyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-(9H-fluoren-4-ylcarbamoyl)phenyl]benzoic acid
IUPAC Name: 2-[2-(9H-fluoren-4-ylcarbamoyl)phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-(9H-fluoren-4-ylcarbamoyl)phenyl]benzoic acid
MOLECULAR FORMULA: C27H19NO3
MOLECULAR WEIGHT: 405.44466
SMILES: C1C2=C(C3=CC=CC=C31)C(=CC=C2)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O
Structure:
CAS RN: 3158-74-5
CAS Name: 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 5-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]butyl]-2-chloranyl-benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C23H30Cl2FN5O5S2
MOLECULAR WEIGHT: 610.549203
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C
Structure:
CAS RN: 89372-57-6
CAS Name: 1-(2-pyrimidinyl)-1,2,4-triazole-3,5-diamine
OPENEYE Name: 1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
IUPAC Name: 1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
SYSTEMATIC NAME: 1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
MOLECULAR FORMULA: C6H7N7
MOLECULAR WEIGHT: 177.16668
SMILES: C1=CN=C(N=C1)N2C(=NC(=N2)N)N
Structure:
CAS RN: 24316-19-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5
Structure:
CAS RN: 57772-50-6
CAS Name: (4-methyl-1-naphthalenyl)methanol
OPENEYE Name: (4-methyl-1-naphthyl)methanol
IUPAC Name: (4-methylnaphthalen-1-yl)methanol
SYSTEMATIC NAME: (4-methylnaphthalen-1-yl)methanol
MOLECULAR FORMULA: C12H12O
MOLECULAR WEIGHT: 172.22308
SMILES: CC1=CC=C(C2=CC=CC=C12)CO
Structure:
CAS RN: 74113-57-8
CAS Name: 1,3,5-triphenyl-2-(2,4,6-triphenylphenyl)dioxybenzene
OPENEYE Name: 1,3,5-triphenyl-2-(2,4,6-triphenylphenyl)peroxy-benzene
IUPAC Name: 1,3,5-triphenyl-2-(2,4,6-triphenylphenyl)peroxybenzene
SYSTEMATIC NAME: 1,3,5-triphenyl-2-(2,4,6-triphenylphenyl)peroxy-benzene
MOLECULAR FORMULA: C48H34O2
MOLECULAR WEIGHT: 642.78236
SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)OOC4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 14804-38-7
CAS Name: 5-bromo-2-methoxy-1,3-dimethylbenzene
OPENEYE Name: 5-bromo-2-methoxy-1,3-dimethyl-benzene
IUPAC Name: 5-bromo-2-methoxy-1,3-dimethylbenzene
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-1,3-dimethyl-benzene
MOLECULAR FORMULA: C9H11BrO
MOLECULAR WEIGHT: 215.08704
SMILES: CC1=CC(=CC(=C1OC)C)Br
Structure:
CAS RN: 82048-76-8
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: 17-(1,5-dimethylhexyl)-10,13-dimethyl-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=C4C3(CCC(C4)O)C)[N+](=O)[O-])C
Structure:
CAS RN: 34267-03-3
CAS Name: 4-nitrobenzoic acid [2-[(4-nitrophenyl)-oxomethoxy]cyclopentyl] ester
OPENEYE Name: [2-(4-nitrobenzoyl)oxycyclopentyl] 4-nitrobenzoate
IUPAC Name: [2-(4-nitrobenzoyl)oxycyclopentyl] 4-nitrobenzoate
SYSTEMATIC NAME: [2-(4-nitrophenyl)carbonyloxycyclopentyl] 4-nitrobenzoate
MOLECULAR FORMULA: C19H16N2O8
MOLECULAR WEIGHT: 400.33894
SMILES: C1CC(C(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
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