CAS RN: 34969-65-8
CAS Name: (1R,2R)-1,2-dibromocyclooctane
OPENEYE Name: (1R,2R)-1,2-dibromocyclooctane
IUPAC Name: (1R,2R)-1,2-dibromocyclooctane
SYSTEMATIC NAME: (1R,2R)-1,2-bis(bromanyl)cyclooctane
MOLECULAR FORMULA: C8H14Br2
MOLECULAR WEIGHT: 270.00476
SMILES: C1CCC[C@H]([C@@H](CC1)Br)Br
Structure:
CAS RN: 860-79-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H46N2O
MOLECULAR WEIGHT: 402.65624
SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)O)NC
Structure:
CAS RN: 2241-90-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H42N2O
MOLECULAR WEIGHT: 386.61378
SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5=C)NC)C)C)O)NC
Structure:
CAS RN: 39736-26-0
CAS Name: 4-(3-bromophenyl)-2-butanone
OPENEYE Name: 4-(3-bromophenyl)butan-2-one
IUPAC Name: 4-(3-bromophenyl)butan-2-one
SYSTEMATIC NAME: 4-(3-bromophenyl)butan-2-one
MOLECULAR FORMULA: C10H11BrO
MOLECULAR WEIGHT: 227.09774
SMILES: CC(=O)CCC1=CC(=CC=C1)Br
Structure:
CAS RN: 50402-83-0
CAS Name: 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-6-phenyl-1H-pyridin-4-one
OPENEYE Name: 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-6-phenyl-1H-pyridin-4-one
IUPAC Name: 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-6-phenyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[2-(4-methoxyphenyl)-2-oxidanyl-ethyl]-6-phenyl-1H-pyridin-4-one
MOLECULAR FORMULA: C20H19NO3
MOLECULAR WEIGHT: 321.36976
SMILES: COC1=CC=C(C=C1)C(CC2=CC(=O)C=C(N2)C3=CC=CC=C3)O
Structure:
CAS RN: 35706-63-9
CAS Name: 1-(2-chlorophenyl)-2-methylsulfonylethanone
OPENEYE Name: 1-(2-chlorophenyl)-2-methylsulfonyl-ethanone
IUPAC Name: 1-(2-chlorophenyl)-2-methylsulfonylethanone
SYSTEMATIC NAME: 1-(2-chlorophenyl)-2-methylsulfonyl-ethanone
MOLECULAR FORMULA: C9H9ClO3S
MOLECULAR WEIGHT: 232.68396
SMILES: CS(=O)(=O)CC(=O)C1=CC=CC=C1Cl
Structure:
CAS RN: 103620-25-3
CAS Name: 1-butyl-3-(4-phenylmethoxyphenyl)urea
OPENEYE Name: 1-(4-benzyloxyphenyl)-3-butyl-urea
IUPAC Name: 1-butyl-3-(4-phenylmethoxyphenyl)urea
SYSTEMATIC NAME: 1-butyl-3-(4-phenylmethoxyphenyl)urea
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CCCCNC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2
Structure:
CAS RN: 23931-59-1
CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C19H25N8O11P
MOLECULAR WEIGHT: 572.422561
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O
Structure:
CAS RN: 25451-43-8
CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [5-(4-amino-2-oxo-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-(4-amino-2-oxo-pyrimidin-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-(4-amino-2-oxopyrimidin-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-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C18H25N6O12P
MOLECULAR WEIGHT: 548.397861
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)O)O
Structure:
CAS RN: 2536-99-4
CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [5-(4-amino-2-oxo-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-(4-amino-2-oxo-pyrimidin-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-(4-amino-2-oxopyrimidin-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-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C18H25N6O12P
MOLECULAR WEIGHT: 548.397861
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)O)O
Structure:
CAS RN: 1975-81-1
CAS Name: 3-[2-(methylamino)ethyl]-1H-indol-5-ol; oxalic acid
OPENEYE Name: 3-[2-(methylamino)ethyl]-1H-indol-5-ol; oxalic acid
IUPAC Name: 3-[2-(methylamino)ethyl]-1H-indol-5-ol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol
MOLECULAR FORMULA: C13H16N2O5
MOLECULAR WEIGHT: 280.27654
SMILES: CNCCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 15558-50-6
CAS Name: 3-[2-(methylamino)ethyl]-1H-indol-5-ol; oxalic acid
OPENEYE Name: 3-[2-(methylamino)ethyl]-1H-indol-5-ol; oxalic acid
IUPAC Name: 3-[2-(methylamino)ethyl]-1H-indol-5-ol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol
MOLECULAR FORMULA: C13H16N2O5
MOLECULAR WEIGHT: 280.27654
SMILES: CNCCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 4771-50-0
CAS Name: 7-methyl-1H-indole-3-carboxaldehyde
OPENEYE Name: 7-methyl-1H-indole-3-carbaldehyde
IUPAC Name: 7-methyl-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 7-methyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC=CC2=C1NC=C2C=O
Structure:
CAS RN: 569-59-5
CAS Name: 2,3-dihydroxybutanedioic acid; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
OPENEYE Name: 2,3-dihydroxybutanedioic acid; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
IUPAC Name: 2,3-dihydroxybutanedioic acid; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; 2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine
MOLECULAR FORMULA: C23H25NO6
MOLECULAR WEIGHT: 411.4477
SMILES: CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 30093-91-5
CAS Name: (3S)-3-bromobicyclo[2.2.1]heptane
OPENEYE Name: (2S)-2-bromonorbornane
IUPAC Name: (3S)-3-bromobicyclo[2.2.1]heptane
SYSTEMATIC NAME: (3S)-3-bromanylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H11Br
MOLECULAR WEIGHT: 175.06624
SMILES: C1CC2CC1C[C@@H]2Br
Structure:
CAS RN: 2534-77-2
CAS Name: (3S)-3-bromobicyclo[2.2.1]heptane
OPENEYE Name: (2S)-2-bromonorbornane
IUPAC Name: (3S)-3-bromobicyclo[2.2.1]heptane
SYSTEMATIC NAME: (3S)-3-bromanylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H11Br
MOLECULAR WEIGHT: 175.06624
SMILES: C1CC2CC1C[C@@H]2Br
Structure:
CAS RN: 20803-98-9
CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(3,4-dichlorobenzoyl)amino]acetic acid
IUPAC Name: 2-[(3,4-dichlorobenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(3,4-dichlorophenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C9H7Cl2NO3
MOLECULAR WEIGHT: 248.06278
SMILES: C1=CC(=C(C=C1C(=O)NCC(=O)O)Cl)Cl
Structure:
CAS RN: 17321-80-1
CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(3,4-dichlorobenzoyl)amino]acetic acid
IUPAC Name: 2-[(3,4-dichlorobenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(3,4-dichlorophenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C9H7Cl2NO3
MOLECULAR WEIGHT: 248.06278
SMILES: C1=CC(=C(C=C1C(=O)NCC(=O)O)Cl)Cl
Structure:
CAS RN: 35354-38-2
CAS Name: 3,5,8-trimethyl-1,2-dihydronaphthalene
OPENEYE Name: 3,5,8-trimethyl-1,2-dihydronaphthalene
IUPAC Name: 3,5,8-trimethyl-1,2-dihydronaphthalene
SYSTEMATIC NAME: 3,5,8-trimethyl-1,2-dihydronaphthalene
MOLECULAR FORMULA: C13H16
MOLECULAR WEIGHT: 172.26614
SMILES: CC1=CC2=C(C=CC(=C2CC1)C)C
Structure:
CAS RN: 2440-80-4
CAS Name: 5-(4-phenylbutyl)-6-(phenylmethyl)pyrimidine-2,4-diamine
OPENEYE Name: 6-benzyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
IUPAC Name: 6-benzyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-(4-phenylbutyl)-6-(phenylmethyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C21H24N4
MOLECULAR WEIGHT: 332.44206
SMILES: C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)CC3=CC=CC=C3
Structure:
CAS RN: 5856-57-5
CAS Name: carbamic acid [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl carbamate
IUPAC Name: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbamate
SYSTEMATIC NAME: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl carbamate
MOLECULAR FORMULA: C11H15N3O6
MOLECULAR WEIGHT: 285.2533
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)N)O
Structure:
CAS RN: 59025-03-5
CAS Name: carbamic acid [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl carbamate
IUPAC Name: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbamate
SYSTEMATIC NAME: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl carbamate
MOLECULAR FORMULA: C11H15N3O6
MOLECULAR WEIGHT: 285.2533
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)N)O
Structure:
CAS RN: 116146-09-9
CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-propen-1-one
OPENEYE Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-prop-2-en-1-one
IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylprop-2-en-1-one
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-prop-2-en-1-one
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: CC(=C)C(=O)N1CCCC2=CC=CC=C21
Structure:
CAS RN: 66307-56-0
CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-phenoxy-2-propanol
OPENEYE Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC=C3)O
Structure:
CAS RN: 6641-99-2
CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-phenoxy-2-propanol
OPENEYE Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC=C3)O
Structure:
CAS RN: 6641-91-4
CAS Name: 1-(3-methoxyphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
OPENEYE Name: 1-(3-methoxyphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
IUPAC Name: 1-(3-methoxyphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(3-methoxyphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
Structure:
CAS RN: 27420-80-0
CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-3-phenoxy-2-propanol
OPENEYE Name: 1-[4-(m-tolyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=CC=C3)O
Structure:
CAS RN: 66418-18-6
CAS Name: 1-(3-methylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
OPENEYE Name: 1-(3-methylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
IUPAC Name: 1-(3-methylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(3-methylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
Structure:
CAS RN: 66307-61-7
CAS Name: 1-(4-chlorophenoxy)-3-[4-(2-methylphenyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-(4-chlorophenoxy)-3-[4-(o-tolyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-(4-chlorophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C20H25ClN2O2
MOLECULAR WEIGHT: 360.8777
SMILES: CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 6641-84-5
CAS Name: 1-(4-phenyl-1-piperazinyl)-3-(phenylthio)-2-propanol
OPENEYE Name: 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanyl-propan-2-ol
IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanylpropan-2-ol
SYSTEMATIC NAME: 1-(4-phenylpiperazin-1-yl)-3-phenylsulfanyl-propan-2-ol
MOLECULAR FORMULA: C19H24N2OS
MOLECULAR WEIGHT: 328.47166
SMILES: C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 27511-43-9
CAS Name: N-[(2R,3R)-1,4-dichloro-3-(methanesulfonamido)butan-2-yl]methanesulfonamide
OPENEYE Name: N-[(1R,2R)-3-chloro-1-(chloromethyl)-2-(methanesulfonamido)propyl]methanesulfonamide
IUPAC Name: N-[(2R,3R)-1,4-dichloro-3-(methanesulfonamido)butan-2-yl]methanesulfonamide
SYSTEMATIC NAME: N-[(2R,3R)-1,4-bis(chloranyl)-3-(methylsulfonylamino)butan-2-yl]methanesulfonamide
MOLECULAR FORMULA: C6H14Cl2N2O4S2
MOLECULAR WEIGHT: 313.22236
SMILES: CS(=O)(=O)N[C@@H](CCl)[C@H](CCl)NS(=O)(=O)C
Structure:
No comments:
Post a Comment