CAS RN: 13351-28-5
CAS Name: 3,4-diphenyl-1-cyclopentanone
OPENEYE Name: 3,4-diphenylcyclopentanone
IUPAC Name: 3,4-diphenylcyclopentan-1-one
SYSTEMATIC NAME: 3,4-diphenylcyclopentan-1-one
MOLECULAR FORMULA: C17H16O
MOLECULAR WEIGHT: 236.30834
SMILES: C1C(C(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 2760-64-7
CAS Name: 4a,5,8,8a-tetrahydro-4H-2-benzopyran-1,3-dione
OPENEYE Name: 4a,5,8,8a-tetrahydro-4H-isochromene-1,3-dione
IUPAC Name: 4a,5,8,8a-tetrahydro-4H-isochromene-1,3-dione
SYSTEMATIC NAME: 4a,5,8,8a-tetrahydro-4H-isochromene-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: C1C=CCC2C1CC(=O)OC2=O
Structure:
CAS RN: 27388-40-5
CAS Name: 4-[2-(3,4-dichlorophenyl)ethenyl]-2-[2-(1-piperidinyl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
OPENEYE Name: 4-[2-(3,4-dichlorophenyl)vinyl]-2-[2-(1-piperidyl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
IUPAC Name: 4-[2-(3,4-dichlorophenyl)ethenyl]-2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]quinoline-1,3-dione
SYSTEMATIC NAME: 4-[2-(3,4-dichlorophenyl)ethenyl]-2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]quinoline-1,3-dione
MOLECULAR FORMULA: C26H23Cl2N3O2
MOLECULAR WEIGHT: 480.38572
SMILES: C1CCN(CC1)CCN2C(=O)C3=C(C2=O)C(=NC4=CC=CC=C43)C=CC5=CC(=C(C=C5)Cl)Cl
Structure:
CAS RN: 99-17-2
CAS Name: benzoic acid [3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-2-yl]methyl benzoate
IUPAC Name: [3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
SYSTEMATIC NAME: [6-[2-(hydroxymethyl)phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl benzoate
MOLECULAR FORMULA: C20H22O8
MOLECULAR WEIGHT: 390.38388
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC=CC=C3CO)O)O)O
Structure:
CAS RN: 332-82-1
CAS Name: 1-(2-chloroethyl)-3-(4-propan-2-ylcyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4-isopropylcyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4-propan-2-ylcyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4-propan-2-ylcyclohexyl)urea
MOLECULAR FORMULA: C12H23ClN2O
MOLECULAR WEIGHT: 246.77682
SMILES: CC(C)C1CCC(CC1)NC(=O)NCCCl
Structure:
CAS RN: 16394-98-2
CAS Name: bicyclo[2.2.1]heptane-2,3,5,6-tetrol
OPENEYE Name: norbornane-2,3,5,6-tetrol
IUPAC Name: bicyclo[2.2.1]heptane-2,3,5,6-tetrol
SYSTEMATIC NAME: bicyclo[2.2.1]heptane-2,3,5,6-tetrol
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: C1C2C(C(C1C(C2O)O)O)O
Structure:
CAS RN: 18502-05-1
CAS Name: cyclohexane-1,2,3,4-tetrol
OPENEYE Name: cyclohexane-1,2,3,4-tetrol
IUPAC Name: cyclohexane-1,2,3,4-tetrol
SYSTEMATIC NAME: cyclohexane-1,2,3,4-tetrol
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: C1CC(C(C(C1O)O)O)O
Structure:
CAS RN: 36164-35-9
CAS Name: 1-[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 1-[2-(tritylamino)-3-tritylsulfanyl-propanoyl]pyrrolidine-2-carboxylate
IUPAC Name: benzyl 1-[2-(tritylamino)-3-tritylsulfanylpropanoyl]pyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 1-[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C53H48N2O3S
MOLECULAR WEIGHT: 793.02482
SMILES: C1CC(N(C1)C(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC8=CC=CC=C8
Structure:
CAS RN: 36160-84-6
CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]butanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]butanedioate
IUPAC Name: dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate
SYSTEMATIC NAME: dimethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanedioate
MOLECULAR FORMULA: C47H44N2O5S
MOLECULAR WEIGHT: 748.92766
SMILES: COC(=O)CC(C(=O)OC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 101952-37-8
CAS Name: 1,4-dihydroxynaphthalene-2,3-dicarbonitrile
OPENEYE Name: 1,4-dihydroxynaphthalene-2,3-dicarbonitrile
IUPAC Name: 1,4-dihydroxynaphthalene-2,3-dicarbonitrile
SYSTEMATIC NAME: 1,4-bis(oxidanyl)naphthalene-2,3-dicarbonitrile
MOLECULAR FORMULA: C12H6N2O2
MOLECULAR WEIGHT: 210.18824
SMILES: C1=CC=C2C(=C1)C(=C(C(=C2O)C#N)C#N)O
Structure:
CAS RN: 3013-97-6
CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate
OPENEYE Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C18H24N5O13P
MOLECULAR WEIGHT: 549.382621
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O
Structure:
CAS RN: 16705-20-7
CAS Name: [2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] [5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C18H24N5O12P
MOLECULAR WEIGHT: 533.383221
SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OC3C(C(OC3N4C=CC(=NC4=O)N)CO)O)O
Structure:
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