CAS RN: 15483-13-3
CAS Name: 6-methyl-1-phenyl-6-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-methyl-1-phenyl-6-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-methyl-1-phenyl-6-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-methyl-1-phenyl-6-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C18H21N5
MOLECULAR WEIGHT: 307.39284
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2)N)N)CCC3=CC=CC=C3
Structure:
CAS RN: 6814-80-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: C1C2C=CC1C3C2C=CC3O
Structure:
CAS RN: 102434-10-6
CAS Name: 1-(2-chloroethyl)-3-(2-phenylphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-phenylphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-phenylphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2-phenylphenyl)urea
MOLECULAR FORMULA: C15H15ClN2O
MOLECULAR WEIGHT: 274.7454
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)NCCCl
Structure:
CAS RN: 40120-07-8
CAS Name: 2-butyl-9b-(1-butyl-2,5-dioxo-3-pyrrolidinyl)-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dione
OPENEYE Name: 2-butyl-9b-(1-butyl-2,5-dioxo-pyrrolidin-3-yl)-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dione
IUPAC Name: 2-butyl-9b-(1-butyl-2,5-dioxopyrrolidin-3-yl)-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dione
SYSTEMATIC NAME: 2-butyl-9b-[1-butyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dione
MOLECULAR FORMULA: C23H29N3O4
MOLECULAR WEIGHT: 411.49406
SMILES: CCCCN1C(=O)CC(C1=O)C23C(CCC4=C2C=CC=N4)C(=O)N(C3=O)CCCC
Structure:
CAS RN: 47773-39-7
CAS Name: 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]ethyl]anilino]-oxomethyl]benzenesulfonyl fluoride
OPENEYE Name: 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
IUPAC Name: 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[4-[2-[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C25H21ClFN5O3S
MOLECULAR WEIGHT: 525.982343
SMILES: C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 20535-89-1
CAS Name: 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]methoxy]phenyl]ethanone
OPENEYE Name: 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethanone
IUPAC Name: 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]-2-chloranyl-ethanone
MOLECULAR FORMULA: C19H16Cl2N4O2
MOLECULAR WEIGHT: 403.26194
SMILES: C1=CC(=CC=C1C2=C(N=C(N=C2N)N)COC3=CC=C(C=C3)C(=O)CCl)Cl
Structure:
CAS RN: 20110-78-5
CAS Name: 3-[[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]anilino]-oxomethyl]amino]benzenesulfonyl fluoride
OPENEYE Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
IUPAC Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
MOLECULAR FORMULA: C24H19Cl2FN6O4S
MOLECULAR WEIGHT: 577.414863
SMILES: C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 20535-88-0
CAS Name: 2-chloro-1-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methylamino]phenyl]ethanone
OPENEYE Name: 2-chloro-1-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
IUPAC Name: 2-chloro-1-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methylamino]phenyl]-2-chloranyl-ethanone
MOLECULAR FORMULA: C19H16Cl3N5O
MOLECULAR WEIGHT: 436.72224
SMILES: C1=CC(=CC=C1C(=O)CCl)NCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 15422-30-7
CAS Name: 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]methylamino]phenyl]ethanone
OPENEYE Name: 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
IUPAC Name: 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]-2-chloranyl-ethanone
MOLECULAR FORMULA: C19H17Cl2N5O
MOLECULAR WEIGHT: 402.27718
SMILES: C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CNC3=CC=C(C=C3)C(=O)CCl)Cl
Structure:
CAS RN: 35287-69-5
CAS Name: 4,8,9-trihydroxy-3-methyl-1-oxo-7-(1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl)-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester
OPENEYE Name: methyl 4,8,9-trihydroxy-3-methyl-1-oxo-7-(1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl)-3,4-dihydro-2H-xanthene-4a-carboxylate
IUPAC Name: methyl 4,8,9-trihydroxy-3-methyl-1-oxo-7-(1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl)-3,4-dihydro-2H-xanthene-4a-carboxylate
SYSTEMATIC NAME: methyl 7-[10a-methoxycarbonyl-6-methyl-1,5,9-tris(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-2-yl]-3-methyl-4,8,9-tris(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate
MOLECULAR FORMULA: C32H30O14
MOLECULAR WEIGHT: 638.5722
SMILES: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O
Structure:
CAS RN: 2969-20-2
CAS Name: 3,5-dinitrobenzoic acid [3-[(3,5-dinitrophenyl)-oxomethoxy]-2-[3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylphenyl] ester
OPENEYE Name: [3-(3,5-dinitrobenzoyl)oxy-2-(6-isopropenyl-3-methyl-cyclohex-2-en-1-yl)-5-pentyl-phenyl] 3,5-dinitrobenzoate
IUPAC Name: [3-(3,5-dinitrobenzoyl)oxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 3,5-dinitrobenzoate
SYSTEMATIC NAME: [3-(3,5-dinitrophenyl)carbonyloxy-2-(3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl)-5-pentyl-phenyl] 3,5-dinitrobenzoate
MOLECULAR FORMULA: C35H34N4O12
MOLECULAR WEIGHT: 702.66406
SMILES: CCCCCC1=CC(=C(C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3C=C(CCC3C(=C)C)C)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1096-50-0
CAS Name: (3-benzoyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)-phenylmethanone
OPENEYE Name: (3-benzoyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)-phenyl-methanone
IUPAC Name: (3-benzoyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)-phenylmethanone
SYSTEMATIC NAME: phenyl-[3-(phenylcarbonyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methanone
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: C1C2C=CC1C(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 2759-98-0
CAS Name: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine
OPENEYE Name: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine
IUPAC Name: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: CCN(CC)CCOC1=CC=C(C=C1)OC
Structure:
CAS RN: 440-55-1
CAS Name: (2-amino-3-chloro-6-fluoro-5-methylphenyl)-iodomercury
OPENEYE Name: (2-amino-3-chloro-6-fluoro-5-methyl-phenyl)-iodo-mercury
IUPAC Name: (2-amino-3-chloro-6-fluoro-5-methylphenyl)-iodomercury
SYSTEMATIC NAME: (2-azanyl-3-chloranyl-6-fluoranyl-5-methyl-phenyl)-iodanyl-mercury
MOLECULAR FORMULA: C7H6ClFHgIN
MOLECULAR WEIGHT: 486.075113
SMILES: CC1=CC(=C(C(=C1F)[Hg]I)N)Cl
Structure:
CAS RN: 5167-52-2
CAS Name: 2-[[(3-hexadecyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzenesulfonic acid
OPENEYE Name: 2-[[(3-hexadecyl-1,3-benzothiazol-2-ylidene)hydrazono]methyl]benzenesulfonic acid
IUPAC Name: 2-[[(3-hexadecyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzenesulfonic acid
SYSTEMATIC NAME: 2-[[(3-hexadecyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]benzenesulfonic acid
MOLECULAR FORMULA: C30H43N3O3S2
MOLECULAR WEIGHT: 557.81072
SMILES: CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=NN=CC3=CC=CC=C3S(=O)(=O)O
Structure:
CAS RN: 2873-59-8
CAS Name: didodecyl(diphenyl)silane
OPENEYE Name: didodecyl(diphenyl)silane
IUPAC Name: didodecyl(diphenyl)silane
SYSTEMATIC NAME: didodecyl(diphenyl)silane
MOLECULAR FORMULA: C36H60Si
MOLECULAR WEIGHT: 520.9471
SMILES: CCCCCCCCCCCC[Si](CCCCCCCCCCCC)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 120-96-7
CAS Name: 1,4-dibutoxy-1,4-dioxo-2-butanesulfonic acid
OPENEYE Name: 1,4-dibutoxy-1,4-dioxo-butane-2-sulfonic acid
IUPAC Name: 1,4-dibutoxy-1,4-dioxobutane-2-sulfonic acid
SYSTEMATIC NAME: 1,4-dibutoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid
MOLECULAR FORMULA: C12H22O7S
MOLECULAR WEIGHT: 310.36388
SMILES: CCCCOC(=O)CC(C(=O)OCCCC)S(=O)(=O)O
Structure:
CAS RN: 31706-27-1
CAS Name: (2-nitrophenyl)imino-triphenylphosphorane
OPENEYE Name: (2-nitrophenyl)imino-triphenyl-$l^{5}-phosphane
IUPAC Name: (2-nitrophenyl)imino-triphenyl-$l^{5}-phosphane
SYSTEMATIC NAME: (2-nitrophenyl)imino-triphenyl-$l^{5}-phosphane
MOLECULAR FORMULA: C24H19N2O2P
MOLECULAR WEIGHT: 398.393621
SMILES: C1=CC=C(C=C1)P(=NC2=CC=CC=C2[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 1699-56-5
CAS Name: 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine
OPENEYE Name: 2-(3,4-dibenzyloxyphenyl)ethanamine
IUPAC Name: 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine
SYSTEMATIC NAME: 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine
MOLECULAR FORMULA: C22H23NO2
MOLECULAR WEIGHT: 333.42352
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCN)OCC3=CC=CC=C3
Structure:
CAS RN: 22031-12-5
CAS Name: [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methylpropyl]-diphenylphosphine
OPENEYE Name: [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane
IUPAC Name: [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
SYSTEMATIC NAME: [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane
MOLECULAR FORMULA: C41H39P3
MOLECULAR WEIGHT: 624.669643
SMILES: CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 2368-80-1
CAS Name: (2-fluorophenyl)hydrazine
OPENEYE Name: (2-fluorophenyl)hydrazine
IUPAC Name: (2-fluorophenyl)hydrazine
SYSTEMATIC NAME: (2-fluorophenyl)diazane
MOLECULAR FORMULA: C6H7FN2
MOLECULAR WEIGHT: 126.131583
SMILES: C1=CC=C(C(=C1)NN)F
Structure:
CAS RN: 2924-15-4
CAS Name: (2-fluorophenyl)hydrazine
OPENEYE Name: (2-fluorophenyl)hydrazine
IUPAC Name: (2-fluorophenyl)hydrazine
SYSTEMATIC NAME: (2-fluorophenyl)diazane
MOLECULAR FORMULA: C6H7FN2
MOLECULAR WEIGHT: 126.131583
SMILES: C1=CC=C(C(=C1)NN)F
Structure:
CAS RN: 60807-01-4
CAS Name: 3-methyl-2-[oxo-(2-oxo-1-azepanyl)methyl]-2-phenylmethoxybutanoic acid ethyl ester
OPENEYE Name: ethyl 2-benzyloxy-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate
IUPAC Name: ethyl 3-methyl-2-(2-oxoazepane-1-carbonyl)-2-phenylmethoxybutanoate
SYSTEMATIC NAME: ethyl 3-methyl-2-(2-oxidanylideneazepan-1-yl)carbonyl-2-phenylmethoxy-butanoate
MOLECULAR FORMULA: C21H29NO5
MOLECULAR WEIGHT: 375.45866
SMILES: CCOC(=O)C(C(C)C)(C(=O)N1CCCCCC1=O)OCC2=CC=CC=C2
Structure:
CAS RN: 29925-37-9
CAS Name: 10-(2-nitropropan-2-yl)-10H-anthracen-9-one
OPENEYE Name: 10-(1-methyl-1-nitro-ethyl)-10H-anthracen-9-one
IUPAC Name: 10-(2-nitropropan-2-yl)-10H-anthracen-9-one
SYSTEMATIC NAME: 10-(2-nitropropan-2-yl)-10H-anthracen-9-one
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: CC(C)(C1C2=CC=CC=C2C(=O)C3=CC=CC=C13)[N+](=O)[O-]
Structure:
CAS RN: 19549-89-4
CAS Name: 3,3-dimethyl-1-heptene
OPENEYE Name: 3,3-dimethylhept-1-ene
IUPAC Name: 3,3-dimethylhept-1-ene
SYSTEMATIC NAME: 3,3-dimethylhept-1-ene
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CCCCC(C)(C)C=C
Structure:
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