CAS RN: 51514-22-8
CAS Name: 3-ethoxycyclohexene
OPENEYE Name: 3-ethoxycyclohexene
IUPAC Name: 3-ethoxycyclohexene
SYSTEMATIC NAME: 3-ethoxycyclohexene
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCOC1CCCC=C1
Structure:
CAS RN: 29249-66-9
CAS Name: 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene
OPENEYE Name: 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethyl-benzene
IUPAC Name: 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene
SYSTEMATIC NAME: 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethyl-benzene
MOLECULAR FORMULA: C18H22
MOLECULAR WEIGHT: 238.36728
SMILES: CC1=CC(=CC(=C1)CCC2=CC(=CC(=C2)C)C)C
Structure:
CAS RN: 20348-78-1
CAS Name: 1-(2-chloroethyl)-4-nitrobenzene
OPENEYE Name: 1-(2-chloroethyl)-4-nitro-benzene
IUPAC Name: 1-(2-chloroethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-(2-chloroethyl)-4-nitro-benzene
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: C1=CC(=CC=C1CCCl)[N+](=O)[O-]
Structure:
CAS RN: 93004-97-8
CAS Name: (1-methyl-4-piperidinyl)-phenylmethanol
OPENEYE Name: (1-methyl-4-piperidyl)-phenyl-methanol
IUPAC Name: (1-methylpiperidin-4-yl)-phenylmethanol
SYSTEMATIC NAME: (1-methylpiperidin-4-yl)-phenyl-methanol
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CN1CCC(CC1)C(C2=CC=CC=C2)O
Structure:
CAS RN: 6311-45-1
CAS Name: (3-bromophenyl)-phenylmethanol
OPENEYE Name: (3-bromophenyl)-phenyl-methanol
IUPAC Name: (3-bromophenyl)-phenylmethanol
SYSTEMATIC NAME: (3-bromophenyl)-phenyl-methanol
MOLECULAR FORMULA: C13H11BrO
MOLECULAR WEIGHT: 263.12984
SMILES: C1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)O
Structure:
CAS RN: 35068-35-0
CAS Name: 8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name: 8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,3-dimethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-1,3-dimethyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C14H14N8O4
MOLECULAR WEIGHT: 358.31216
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C
Structure:
CAS RN: 51469-52-4
CAS Name: 1-(2,4-dichlorophenyl)-1-nonen-3-one
OPENEYE Name: 1-(2,4-dichlorophenyl)non-1-en-3-one
IUPAC Name: 1-(2,4-dichlorophenyl)non-1-en-3-one
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)non-1-en-3-one
MOLECULAR FORMULA: C15H18Cl2O
MOLECULAR WEIGHT: 285.20882
SMILES: CCCCCCC(=O)C=CC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 7630-72-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H25NO6
MOLECULAR WEIGHT: 411.4477
SMILES: CCOC(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC
Structure:
CAS RN: 10075-52-2
CAS Name: 5-bromo-1-methylindole
OPENEYE Name: 5-bromo-1-methyl-indole
IUPAC Name: 5-bromo-1-methylindole
SYSTEMATIC NAME: 5-bromanyl-1-methyl-indole
MOLECULAR FORMULA: C9H8BrN
MOLECULAR WEIGHT: 210.07052
SMILES: CN1C=CC2=C1C=CC(=C2)Br
Structure:
CAS RN: 10075-51-1
CAS Name: 5-bromo-1-(phenylmethyl)indole
OPENEYE Name: 1-benzyl-5-bromo-indole
IUPAC Name: 1-benzyl-5-bromoindole
SYSTEMATIC NAME: 5-bromanyl-1-(phenylmethyl)indole
MOLECULAR FORMULA: C15H12BrN
MOLECULAR WEIGHT: 286.16648
SMILES: C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)Br
Structure:
CAS RN: 37424-75-2
CAS Name: (2-methyl-1H-indol-3-yl)-(3-pyridinyl)methanone
OPENEYE Name: (2-methyl-1H-indol-3-yl)-(3-pyridyl)methanone
IUPAC Name: (2-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
SYSTEMATIC NAME: (2-methyl-1H-indol-3-yl)-pyridin-3-yl-methanone
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)C3=CN=CC=C3
Structure:
CAS RN: 39217-08-8
CAS Name: 2-chloropyridine-3,4-diamine
OPENEYE Name: 2-chloropyridine-3,4-diamine
IUPAC Name: 2-chloropyridine-3,4-diamine
SYSTEMATIC NAME: 2-chloranylpyridine-3,4-diamine
MOLECULAR FORMULA: C5H6ClN3
MOLECULAR WEIGHT: 143.57424
SMILES: C1=CN=C(C(=C1N)N)Cl
Structure:
CAS RN: 33024-35-0
CAS Name: 1-(2-chloroethyl)-3-[4-[[4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]cyclohexyl]methyl]cyclohexyl]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl]cyclohexyl]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl]cyclohexyl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl]cyclohexyl]-1-nitroso-urea
MOLECULAR FORMULA: C19H32Cl2N6O4
MOLECULAR WEIGHT: 479.40118
SMILES: C1CC(CCC1CC2CCC(CC2)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 20721-18-0
CAS Name: 6-methyl-1H-pyrazin-2-one
OPENEYE Name: 6-methyl-1H-pyrazin-2-one
IUPAC Name: 6-methyl-1H-pyrazin-2-one
SYSTEMATIC NAME: 6-methyl-1H-pyrazin-2-one
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CC1=CN=CC(=O)N1
Structure:
CAS RN: 67828-36-8
CAS Name: 1-[3-(1-isoquinolinyl)propyl]isoquinoline
OPENEYE Name: 1-[3-(1-isoquinolyl)propyl]isoquinoline
IUPAC Name: 1-(3-isoquinolin-1-ylpropyl)isoquinoline
SYSTEMATIC NAME: 1-(3-isoquinolin-1-ylpropyl)isoquinoline
MOLECULAR FORMULA: C21H18N2
MOLECULAR WEIGHT: 298.38102
SMILES: C1=CC=C2C(=C1)C=CN=C2CCCC3=NC=CC4=CC=CC=C43
Structure:
CAS RN: 35550-02-8
CAS Name: 4-hydroxy-1,2,4-triazolidine-3,5-dione
OPENEYE Name: 4-hydroxy-1,2,4-triazolidine-3,5-dione
IUPAC Name: 4-hydroxy-1,2,4-triazolidine-3,5-dione
SYSTEMATIC NAME: 4-oxidanyl-1,2,4-triazolidine-3,5-dione
MOLECULAR FORMULA: C2H3N3O3
MOLECULAR WEIGHT: 117.06352
SMILES: C1(=O)NNC(=O)N1O
Structure:
CAS RN: 20136-67-8
CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
OPENEYE Name: 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol
IUPAC Name: 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol
SYSTEMATIC NAME: 2-[[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-2-[3,4,5-tris(oxidanyl)phenyl]-3,4-dihydrochromene-3,4,5,7-tetrol
MOLECULAR FORMULA: C30H26O14
MOLECULAR WEIGHT: 610.51904
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C(=C6)O)O)O
Structure:
CAS RN: 39471-18-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H34N6O8S
MOLECULAR WEIGHT: 650.70206
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)[C@H]5C(S[C@H]6N5C(=O)[C@H]6NC(=O)CC7=CC=CC=C7)(C)C)N
Structure:
CAS RN: 519-02-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24N2O
MOLECULAR WEIGHT: 248.36386
SMILES: C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
Structure:
CAS RN: 5117-19-1
CAS Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
OPENEYE Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
IUPAC Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C8H16O5S2
MOLECULAR WEIGHT: 256.33964
SMILES: C1CSC(S1)C(C(C(C(CO)O)O)O)O
Structure:
CAS RN: 3650-65-5
CAS Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
OPENEYE Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
IUPAC Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C8H16O5S2
MOLECULAR WEIGHT: 256.33964
SMILES: C1CSC(S1)C(C(C(C(CO)O)O)O)O
Structure:
CAS RN: 16732-29-9
CAS Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
OPENEYE Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
IUPAC Name: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C8H16O5S2
MOLECULAR WEIGHT: 256.33964
SMILES: C1CSC(S1)C(C(C(C(CO)O)O)O)O
Structure:
CAS RN: 39550-64-6
CAS Name: 1-[1-(ethylthio)-2,3,4,5,6-pentahydroxyhexyl]pyrimidine-2,4-dione
OPENEYE Name: 1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxy-hexyl)pyrimidine-2,4-dione
IUPAC Name: 1-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[1-ethylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H20N2O7S
MOLECULAR WEIGHT: 336.3614
SMILES: CCSC(C(C(C(C(CO)O)O)O)O)N1C=CC(=O)NC1=O
Structure:
CAS RN: 55854-89-2
CAS Name: benzoic acid [(6,7-dimethoxy-1-isoquinolinyl)-(4-phenylmethoxyphenyl)methyl] ester
OPENEYE Name: [(4-benzyloxyphenyl)-(6,7-dimethoxy-1-isoquinolyl)methyl] benzoate
IUPAC Name: [(6,7-dimethoxyisoquinolin-1-yl)-(4-phenylmethoxyphenyl)methyl] benzoate
SYSTEMATIC NAME: [(6,7-dimethoxyisoquinolin-1-yl)-(4-phenylmethoxyphenyl)methyl] benzoate
MOLECULAR FORMULA: C32H27NO5
MOLECULAR WEIGHT: 505.56048
SMILES: COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC
Structure:
CAS RN: 10147-02-1
CAS Name: (3-bromo-4-methoxyphenyl)-(1-isoquinolinyl)methanone
OPENEYE Name: (3-bromo-4-methoxy-phenyl)-(1-isoquinolyl)methanone
IUPAC Name: (3-bromo-4-methoxyphenyl)-isoquinolin-1-ylmethanone
SYSTEMATIC NAME: (3-bromanyl-4-methoxy-phenyl)-isoquinolin-1-yl-methanone
MOLECULAR FORMULA: C17H12BrNO2
MOLECULAR WEIGHT: 342.18668
SMILES: COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC=CC=C32)Br
Structure:
CAS RN: 101-89-3
CAS Name: 1-isoquinolinyl-(4-phenylmethoxyphenyl)methanol
OPENEYE Name: (4-benzyloxyphenyl)-(1-isoquinolyl)methanol
IUPAC Name: isoquinolin-1-yl-(4-phenylmethoxyphenyl)methanol
SYSTEMATIC NAME: isoquinolin-1-yl-(4-phenylmethoxyphenyl)methanol
MOLECULAR FORMULA: C23H19NO2
MOLECULAR WEIGHT: 341.40246
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=NC=CC4=CC=CC=C43)O
Structure:
CAS RN: 23255-93-8
CAS Name: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)-9-thioxanthenone; methanesulfonic acid
OPENEYE Name: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one; methanesulfonic acid
IUPAC Name: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one; methanesulfonic acid
SYSTEMATIC NAME: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one; methanesulfonic acid
MOLECULAR FORMULA: C21H28N2O5S2
MOLECULAR WEIGHT: 452.58742
SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CS(=O)(=O)O
Structure:
CAS RN: 34491-11-7
CAS Name: methanesulfonic acid [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] methanesulfonate
IUPAC Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
SYSTEMATIC NAME: [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] methanesulfonate
MOLECULAR FORMULA: C11H16N2O7S
MOLECULAR WEIGHT: 320.31894
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OS(=O)(=O)C
Structure:
CAS RN: 34308-10-6
CAS Name: methanesulfonic acid [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] methanesulfonate
IUPAC Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
SYSTEMATIC NAME: [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] methanesulfonate
MOLECULAR FORMULA: C11H16N2O7S
MOLECULAR WEIGHT: 320.31894
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OS(=O)(=O)C
Structure:
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