CAS RN: 21271-89-6
CAS Name: N-[2,3-diphenyl-8-[(4-sulfamoylphenyl)methylamino]-6-pyrido[2,3-b]pyrazinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[2,3-diphenyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
IUPAC Name: ethyl N-[2,3-diphenyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
SYSTEMATIC NAME: ethyl N-[2,3-diphenyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
MOLECULAR FORMULA: C29H26N6O4S
MOLECULAR WEIGHT: 554.61954
SMILES: CCOC(=O)NC1=NC2=C(C(=C1)NCC3=CC=C(C=C3)S(=O)(=O)N)N=C(C(=N2)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 19254-73-0
CAS Name: N-[8-[5-(diethylamino)pentan-2-ylamino]-2,3-diphenyl-6-pyrido[2,3-b]pyrazinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[8-[[4-(diethylamino)-1-methyl-butyl]amino]-2,3-diphenyl-pyrido[2,3-b]pyrazin-6-yl]carbamate
IUPAC Name: ethyl N-[8-[5-(diethylamino)pentan-2-ylamino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SYSTEMATIC NAME: ethyl N-[8-[5-(diethylamino)pentan-2-ylamino]-2,3-diphenyl-pyrido[2,3-b]pyrazin-6-yl]carbamate
MOLECULAR FORMULA: C31H38N6O2
MOLECULAR WEIGHT: 526.67242
SMILES: CCN(CC)CCCC(C)NC1=CC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC
Structure:
CAS RN: 19270-45-2
CAS Name: N8-[5-(diethylamino)pentan-2-yl]-2,3-diphenylpyrido[2,3-b]pyrazine-6,8-diamine
OPENEYE Name: N8-[4-(diethylamino)-1-methyl-butyl]-2,3-diphenyl-pyrido[2,3-b]pyrazine-6,8-diamine
IUPAC Name: 8-N-[5-(diethylamino)pentan-2-yl]-2,3-diphenylpyrido[2,3-b]pyrazine-6,8-diamine
SYSTEMATIC NAME: N8-[5-(diethylamino)pentan-2-yl]-2,3-diphenyl-pyrido[2,3-b]pyrazine-6,8-diamine
MOLECULAR FORMULA: C28H34N6
MOLECULAR WEIGHT: 454.60976
SMILES: CCN(CC)CCCC(C)NC1=CC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)N
Structure:
CAS RN: 16018-10-3
CAS Name: 4-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-3-quinolinamine
OPENEYE Name: 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]quinolin-3-amine
IUPAC Name: 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]quinolin-3-amine
SYSTEMATIC NAME: 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]quinolin-3-amine
MOLECULAR FORMULA: C21H24N4O2
MOLECULAR WEIGHT: 364.44086
SMILES: COC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=NC4=CC=CC=C43)N)OC
Structure:
CAS RN: 28868-66-8
CAS Name: 11-[4-(2-methylphenyl)-1-piperazinyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
OPENEYE Name: 11-[4-(o-tolyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
IUPAC Name: 11-[4-(2-methylphenyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SYSTEMATIC NAME: 11-[4-(2-methylphenyl)piperazin-1-yl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
MOLECULAR FORMULA: C25H29N3
MOLECULAR WEIGHT: 371.51786
SMILES: CC1=CC=CC=C1N2CCN(CC2)C3=C4CCCCCC4=NC5=CC=CC=C53
Structure:
CAS RN: 3970-64-7
CAS Name: 4,4-diethylpiperidine
OPENEYE Name: 4,4-diethylpiperidine
IUPAC Name: 4,4-diethylpiperidine
SYSTEMATIC NAME: 4,4-diethylpiperidine
MOLECULAR FORMULA: C9H19N
MOLECULAR WEIGHT: 141.25386
SMILES: CCC1(CCNCC1)CC
Structure:
CAS RN: 176-66-9
CAS Name: 3-azaspiro[4.5]decane
OPENEYE Name: 3-azaspiro[4.5]decane
IUPAC Name: 3-azaspiro[4.5]decane
SYSTEMATIC NAME: 3-azaspiro[4.5]decane
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: C1CCC2(CC1)CCNC2
Structure:
CAS RN: 20445-47-0
CAS Name: 1,4-diethyl-1,4-diazoniabicyclo[2.2.1]heptane
OPENEYE Name: 1,4-diethyl-1,4-diazoniabicyclo[2.2.1]heptane
IUPAC Name: 1,4-diethyl-1,4-diazoniabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 1,4-diethyl-1,4-diazoniabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C9H20N2+2
MOLECULAR WEIGHT: 156.2685
SMILES: CC[N+]12CC[N+](C1)(CC2)CC
Structure:
CAS RN: 34262-66-3
CAS Name: 2-[(6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
OPENEYE Name: 2-[(6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
IUPAC Name: 2-[(6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-[(6-oxidanylidene-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C8H6N4O2S2
MOLECULAR WEIGHT: 254.28884
SMILES: C1=CN=C(NC1=O)SSC2=NC=CC(=O)N2
Structure:
CAS RN: 33713-48-3
CAS Name: 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
OPENEYE Name: 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
IUPAC Name: 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
SYSTEMATIC NAME: 4-[2-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
MOLECULAR FORMULA: C15H18N6O3
MOLECULAR WEIGHT: 330.34182
SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CCNC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 14047-44-0
CAS Name: 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
OPENEYE Name: 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
IUPAC Name: 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
SYSTEMATIC NAME: 4-[2-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid
MOLECULAR FORMULA: C15H18N6O3
MOLECULAR WEIGHT: 330.34182
SMILES: C1C(NC2=C(N1)NC(=NC2=O)N)CCNC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 174628-54-7
CAS Name: 4-amino-N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]benzenesulfonamide
OPENEYE Name: 4-amino-N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]benzenesulfonamide
IUPAC Name: 4-amino-N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]benzenesulfonamide
MOLECULAR FORMULA: C14H19N5O3S
MOLECULAR WEIGHT: 337.39736
SMILES: CC1=C(C(=O)N=C(N1)N)CCCNS(=O)(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 18639-06-0
CAS Name: N-bis(phenylhydrazo)phosphorylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-bis(2-phenylhydrazino)phosphorylcarbamate
IUPAC Name: ethyl N-bis(2-phenylhydrazinyl)phosphorylcarbamate
SYSTEMATIC NAME: ethyl N-bis(2-phenylhydrazinyl)phosphorylcarbamate
MOLECULAR FORMULA: C15H20N5O3P
MOLECULAR WEIGHT: 349.324761
SMILES: CCOC(=O)NP(=O)(NNC1=CC=CC=C1)NNC2=CC=CC=C2
Structure:
CAS RN: 20187-69-3
CAS Name: 2-chloro-1-diphenylphosphoryl-1-cyclohexanol
OPENEYE Name: 2-chloro-1-diphenylphosphoryl-cyclohexanol
IUPAC Name: 2-chloro-1-diphenylphosphorylcyclohexan-1-ol
SYSTEMATIC NAME: 2-chloranyl-1-diphenylphosphoryl-cyclohexan-1-ol
MOLECULAR FORMULA: C18H20ClO2P
MOLECULAR WEIGHT: 334.776961
SMILES: C1CCC(C(C1)Cl)(O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 22319-46-6
CAS Name: 2-(diethylaminomethyl)-2,3-diphenylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-benzyl-3-(diethylamino)-2-phenyl-propanoate
IUPAC Name: ethyl 2-benzyl-3-(diethylamino)-2-phenylpropanoate
SYSTEMATIC NAME: ethyl 2-(diethylaminomethyl)-2,3-diphenyl-propanoate
MOLECULAR FORMULA: C22H29NO2
MOLECULAR WEIGHT: 339.47116
SMILES: CCN(CC)CC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC
Structure:
CAS RN: 29682-57-3
CAS Name: chloro-(2-hydroxycyclooctyl)mercury
OPENEYE Name: chloro-(2-hydroxycyclooctyl)mercury
IUPAC Name: chloro-(2-hydroxycyclooctyl)mercury
SYSTEMATIC NAME: chloranyl-(2-oxidanylcyclooctyl)mercury
MOLECULAR FORMULA: C8H15ClHgO
MOLECULAR WEIGHT: 363.2471
SMILES: C1CCCC(C(CC1)O)[Hg]Cl
Structure:
CAS RN: 6811-77-4
CAS Name: 1H-imidazo[4,5-c]pyridin-4-amine
OPENEYE Name: 1H-imidazo[4,5-c]pyridin-4-amine
IUPAC Name: 1H-imidazo[4,5-c]pyridin-4-amine
SYSTEMATIC NAME: 1H-imidazo[4,5-c]pyridin-4-amine
MOLECULAR FORMULA: C6H6N4
MOLECULAR WEIGHT: 134.13864
SMILES: C1=CN=C(C2=C1NC=N2)N
Structure:
CAS RN: 4944-67-6
CAS Name: 2-(4-methylanilino)-3-(4-methylphenyl)imino-1,4-diphenylbutane-1,4-dione
OPENEYE Name: 2-(4-methylanilino)-1,4-diphenyl-3-(p-tolylimino)butane-1,4-dione
IUPAC Name: 2-(4-methylanilino)-3-(4-methylphenyl)imino-1,4-diphenylbutane-1,4-dione
SYSTEMATIC NAME: 2-[(4-methylphenyl)amino]-3-(4-methylphenyl)imino-1,4-diphenyl-butane-1,4-dione
MOLECULAR FORMULA: C30H26N2O2
MOLECULAR WEIGHT: 446.53964
SMILES: CC1=CC=C(C=C1)NC(C(=O)C2=CC=CC=C2)C(=NC3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 7542-46-3
CAS Name: 4-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl]benzoate
IUPAC Name: ethyl 4-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[3-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl]benzoate
MOLECULAR FORMULA: C19H23N5O4
MOLECULAR WEIGHT: 385.41702
SMILES: CCOC(=O)C1=CC=C(C=C1)N2CC3CNCCN3C2C4=CNC(=O)NC4=O
Structure:
CAS RN: 7548-90-5
CAS Name: 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate
IUPAC Name: ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate
SYSTEMATIC NAME: ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate
MOLECULAR FORMULA: C21H25N3O2
MOLECULAR WEIGHT: 351.4421
SMILES: CCOC(=O)C1=CC=C(C=C1)N2CC3CNCCN3C2C4=CC=CC=C4
Structure:
CAS RN: 31660-87-4
CAS Name: 2-[[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy
OPENEYE Name: 2-[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetr
IUPAC Name: 2-[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyox
SYSTEMATIC NAME: 2-[2-[[8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-
MOLECULAR FORMULA: C54H90O22
MOLECULAR WEIGHT: 1091.2792
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)C)C)CO)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 23643-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C58H94O27
MOLECULAR WEIGHT: 1223.35076
SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C
Structure:
CAS RN: 17005-25-3
CAS Name: 2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]ethyl]phenyl]acetamide; sulfuric acid
OPENEYE Name: 2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]acetamide; sulfuric acid
IUPAC Name: 2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]acetamide; sulfuric acid
SYSTEMATIC NAME: N-[4-[2-[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]-2-bromanyl-ethanamide; sulfuric acid
MOLECULAR FORMULA: C20H21BrClN5O5S
MOLECULAR WEIGHT: 558.83324
SMILES: C1=CC(=CC=C1CCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)NC(=O)CBr.OS(=O)(=O)O
Structure:
CAS RN: 14074-88-5
CAS Name: 6,6-dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6,6-dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6,6-dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C21H27N5
MOLECULAR WEIGHT: 349.47258
SMILES: CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC=CC=C3)N)N)C
Structure:
CAS RN: 18639-04-8
CAS Name: N-bis(cyclohexylamino)phosphorylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-bis(cyclohexylamino)phosphorylcarbamate
IUPAC Name: ethyl N-bis(cyclohexylamino)phosphorylcarbamate
SYSTEMATIC NAME: ethyl N-bis(cyclohexylamino)phosphorylcarbamate
MOLECULAR FORMULA: C15H30N3O3P
MOLECULAR WEIGHT: 331.390761
SMILES: CCOC(=O)NP(=O)(NC1CCCCC1)NC2CCCCC2
Structure:
CAS RN: 18743-39-0
CAS Name: N-dianilinophosphorylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-dianilinophosphorylcarbamate
IUPAC Name: ethyl N-dianilinophosphorylcarbamate
SYSTEMATIC NAME: ethyl N-bis(phenylazanyl)phosphorylcarbamate
MOLECULAR FORMULA: C15H18N3O3P
MOLECULAR WEIGHT: 319.295481
SMILES: CCOC(=O)NP(=O)(NC1=CC=CC=C1)NC2=CC=CC=C2
Structure:
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