CAS RN: 66879-16-1
CAS Name: 1,5,11-trimethyl-10H-indeno[1,2-g]isoquinoline
OPENEYE Name: 1,5,11-trimethyl-10H-indeno[1,2-g]isoquinoline
IUPAC Name: 1,5,11-trimethyl-10H-indeno[1,2-g]isoquinoline
SYSTEMATIC NAME: 1,5,11-trimethyl-10H-indeno[1,2-g]isoquinoline
MOLECULAR FORMULA: C19H17N
MOLECULAR WEIGHT: 259.34498
SMILES: CC1=C2CC3=CC=CC=C3C2=C(C4=C1C(=NC=C4)C)C
Structure:
CAS RN: 66879-15-0
CAS Name: 1-methyl-10H-indeno[1,2-g]isoquinoline
OPENEYE Name: 1-methyl-10H-indeno[1,2-g]isoquinoline
IUPAC Name: 1-methyl-10H-indeno[1,2-g]isoquinoline
SYSTEMATIC NAME: 1-methyl-10H-indeno[1,2-g]isoquinoline
MOLECULAR FORMULA: C17H13N
MOLECULAR WEIGHT: 231.29182
SMILES: CC1=NC=CC2=CC3=C(CC4=CC=CC=C43)C=C12
Structure:
CAS RN: 61539-08-0
CAS Name: 4-methoxy-5-(4-methoxyphenyl)-6-methyl-2-pyrimidinamine
OPENEYE Name: 4-methoxy-5-(4-methoxyphenyl)-6-methyl-pyrimidin-2-amine
IUPAC Name: 4-methoxy-5-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
SYSTEMATIC NAME: 4-methoxy-5-(4-methoxyphenyl)-6-methyl-pyrimidin-2-amine
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CC1=C(C(=NC(=N1)N)OC)C2=CC=C(C=C2)OC
Structure:
CAS RN: 61539-16-0
CAS Name: 5-(4-chlorophenyl)-6-ethoxypyrimidine-2,4-diamine
OPENEYE Name: 5-(4-chlorophenyl)-6-ethoxy-pyrimidine-2,4-diamine
IUPAC Name: 5-(4-chlorophenyl)-6-ethoxypyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-6-ethoxy-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C12H13ClN4O
MOLECULAR WEIGHT: 264.71082
SMILES: CCOC1=NC(=NC(=C1C2=CC=C(C=C2)Cl)N)N
Structure:
CAS RN: 61539-15-9
CAS Name: 6-ethoxy-5-phenylpyrimidine-2,4-diamine
OPENEYE Name: 6-ethoxy-5-phenyl-pyrimidine-2,4-diamine
IUPAC Name: 6-ethoxy-5-phenylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-ethoxy-5-phenyl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C12H14N4O
MOLECULAR WEIGHT: 230.26576
SMILES: CCOC1=NC(=NC(=C1C2=CC=CC=C2)N)N
Structure:
CAS RN: 61541-68-2
CAS Name: 4-phenyl-5-[(phenylmethylthio)methyl]-2-pyrimidinamine
OPENEYE Name: 5-(benzylsulfanylmethyl)-4-phenyl-pyrimidin-2-amine
IUPAC Name: 5-(benzylsulfanylmethyl)-4-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 4-phenyl-5-[(phenylmethylsulfanyl)methyl]pyrimidin-2-amine
MOLECULAR FORMULA: C18H17N3S
MOLECULAR WEIGHT: 307.41268
SMILES: C1=CC=C(C=C1)CSCC2=CN=C(N=C2C3=CC=CC=C3)N
Structure:
CAS RN: 61541-67-1
CAS Name: 5-[(ethylthio)methyl]-4-phenyl-2-pyrimidinamine
OPENEYE Name: 5-(ethylsulfanylmethyl)-4-phenyl-pyrimidin-2-amine
IUPAC Name: 5-(ethylsulfanylmethyl)-4-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 5-(ethylsulfanylmethyl)-4-phenyl-pyrimidin-2-amine
MOLECULAR FORMULA: C13H15N3S
MOLECULAR WEIGHT: 245.3433
SMILES: CCSCC1=CN=C(N=C1C2=CC=CC=C2)N
Structure:
CAS RN: 61541-76-2
CAS Name: 4-(4-methoxyphenyl)-5-prop-1-enyl-2-pyrimidinamine
OPENEYE Name: 4-(4-methoxyphenyl)-5-prop-1-enyl-pyrimidin-2-amine
IUPAC Name: 4-(4-methoxyphenyl)-5-prop-1-enylpyrimidin-2-amine
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-5-prop-1-enyl-pyrimidin-2-amine
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: CC=CC1=CN=C(N=C1C2=CC=C(C=C2)OC)N
Structure:
CAS RN: 61541-72-8
CAS Name: 4-phenyl-5-prop-1-enyl-2-pyrimidinamine
OPENEYE Name: 4-phenyl-5-prop-1-enyl-pyrimidin-2-amine
IUPAC Name: 4-phenyl-5-prop-1-enylpyrimidin-2-amine
SYSTEMATIC NAME: 4-phenyl-5-prop-1-enyl-pyrimidin-2-amine
MOLECULAR FORMULA: C13H13N3
MOLECULAR WEIGHT: 211.26242
SMILES: CC=CC1=CN=C(N=C1C2=CC=CC=C2)N
Structure:
CAS RN: 61541-74-0
CAS Name: 5-ethenyl-4-(4-methoxyphenyl)-2-pyrimidinamine
OPENEYE Name: 4-(4-methoxyphenyl)-5-vinyl-pyrimidin-2-amine
IUPAC Name: 5-ethenyl-4-(4-methoxyphenyl)pyrimidin-2-amine
SYSTEMATIC NAME: 5-ethenyl-4-(4-methoxyphenyl)pyrimidin-2-amine
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2C=C)N
Structure:
CAS RN: 61541-73-9
CAS Name: 5-ethenyl-4-phenyl-2-pyrimidinamine
OPENEYE Name: 4-phenyl-5-vinyl-pyrimidin-2-amine
IUPAC Name: 5-ethenyl-4-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 5-ethenyl-4-phenyl-pyrimidin-2-amine
MOLECULAR FORMULA: C12H11N3
MOLECULAR WEIGHT: 197.23584
SMILES: C=CC1=CN=C(N=C1C2=CC=CC=C2)N
Structure:
CAS RN: 61541-81-9
CAS Name: 5-(methylsulfonylmethyl)-4-phenyl-2-pyrimidinamine
OPENEYE Name: 5-(methylsulfonylmethyl)-4-phenyl-pyrimidin-2-amine
IUPAC Name: 5-(methylsulfonylmethyl)-4-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 5-(methylsulfonylmethyl)-4-phenyl-pyrimidin-2-amine
MOLECULAR FORMULA: C12H13N3O2S
MOLECULAR WEIGHT: 263.31552
SMILES: CS(=O)(=O)CC1=CN=C(N=C1C2=CC=CC=C2)N
Structure:
CAS RN: 61541-78-4
CAS Name: 4-(4-methoxyphenyl)-5-methyl-2-pyrimidinamine
OPENEYE Name: 4-(4-methoxyphenyl)-5-methyl-pyrimidin-2-amine
IUPAC Name: 4-(4-methoxyphenyl)-5-methylpyrimidin-2-amine
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-5-methyl-pyrimidin-2-amine
MOLECULAR FORMULA: C12H13N3O
MOLECULAR WEIGHT: 215.25112
SMILES: CC1=CN=C(N=C1C2=CC=C(C=C2)OC)N
Structure:
CAS RN: 61541-77-3
CAS Name: 5-methyl-4-phenyl-2-pyrimidinamine
OPENEYE Name: 5-methyl-4-phenyl-pyrimidin-2-amine
IUPAC Name: 5-methyl-4-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 5-methyl-4-phenyl-pyrimidin-2-amine
MOLECULAR FORMULA: C11H11N3
MOLECULAR WEIGHT: 185.22514
SMILES: CC1=CN=C(N=C1C2=CC=CC=C2)N
Structure:
CAS RN: 61541-69-3
CAS Name: 4-(4-methoxyphenyl)-5-[(methylthio)methyl]-2-pyrimidinamine
OPENEYE Name: 4-(4-methoxyphenyl)-5-(methylsulfanylmethyl)pyrimidin-2-amine
IUPAC Name: 4-(4-methoxyphenyl)-5-(methylsulfanylmethyl)pyrimidin-2-amine
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-5-(methylsulfanylmethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2CSC)N
Structure:
CAS RN: 61541-66-0
CAS Name: 5-[(methylthio)methyl]-4-phenyl-2-pyrimidinamine
OPENEYE Name: 5-(methylsulfanylmethyl)-4-phenyl-pyrimidin-2-amine
IUPAC Name: 5-(methylsulfanylmethyl)-4-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 5-(methylsulfanylmethyl)-4-phenyl-pyrimidin-2-amine
MOLECULAR FORMULA: C12H13N3S
MOLECULAR WEIGHT: 231.31672
SMILES: CSCC1=CN=C(N=C1C2=CC=CC=C2)N
Structure:
CAS RN: 54806-94-9
CAS Name: 4-ethoxy-6-(4-methoxyphenyl)-2-pyrimidinamine
OPENEYE Name: 4-ethoxy-6-(4-methoxyphenyl)pyrimidin-2-amine
IUPAC Name: 4-ethoxy-6-(4-methoxyphenyl)pyrimidin-2-amine
SYSTEMATIC NAME: 4-ethoxy-6-(4-methoxyphenyl)pyrimidin-2-amine
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CCOC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)N
Structure:
CAS RN: 80255-12-5
CAS Name: 5-(1-naphthalenylmethyl)-2-pyrrolidinone
OPENEYE Name: 5-(1-naphthylmethyl)pyrrolidin-2-one
IUPAC Name: 5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: C1CC(=O)NC1CC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 82590-37-2
CAS Name: 5-(1-naphthalenyl)-4-nitro-4-pentenoic acid ethyl ester
OPENEYE Name: ethyl 5-(1-naphthyl)-4-nitro-pent-4-enoate
IUPAC Name: ethyl 5-naphthalen-1-yl-4-nitropent-4-enoate
SYSTEMATIC NAME: ethyl 5-naphthalen-1-yl-4-nitro-pent-4-enoate
MOLECULAR FORMULA: C17H17NO4
MOLECULAR WEIGHT: 299.32118
SMILES: CCOC(=O)CCC(=CC1=CC=CC2=CC=CC=C21)[N+](=O)[O-]
Structure:
CAS RN: 52175-26-5
CAS Name: 4-nitro-5-phenyl-4-pentenoic acid ethyl ester
OPENEYE Name: ethyl 4-nitro-5-phenyl-pent-4-enoate
IUPAC Name: ethyl 4-nitro-5-phenylpent-4-enoate
SYSTEMATIC NAME: ethyl 4-nitro-5-phenyl-pent-4-enoate
MOLECULAR FORMULA: C13H15NO4
MOLECULAR WEIGHT: 249.2625
SMILES: CCOC(=O)CCC(=CC1=CC=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 6623-48-9
CAS Name: 6-(2,3-dimethoxyphenyl)-5-nitro-2-piperidinone
OPENEYE Name: 6-(2,3-dimethoxyphenyl)-5-nitro-piperidin-2-one
IUPAC Name: 6-(2,3-dimethoxyphenyl)-5-nitropiperidin-2-one
SYSTEMATIC NAME: 6-(2,3-dimethoxyphenyl)-5-nitro-piperidin-2-one
MOLECULAR FORMULA: C13H16N2O5
MOLECULAR WEIGHT: 280.27654
SMILES: COC1=CC=CC(=C1OC)C2C(CCC(=O)N2)[N+](=O)[O-]
Structure:
CAS RN: 58373-38-9
CAS Name: 5-nitro-6-phenyl-2-piperidinone
OPENEYE Name: 5-nitro-6-phenyl-piperidin-2-one
IUPAC Name: 5-nitro-6-phenylpiperidin-2-one
SYSTEMATIC NAME: 5-nitro-6-phenyl-piperidin-2-one
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1CC(=O)NC(C1[N+](=O)[O-])C2=CC=CC=C2
Structure:
CAS RN: 54715-14-9
CAS Name: 3-(3-pyridinyl)-4,5-dihydro-1H-benzo[g]indazole
OPENEYE Name: 3-(3-pyridyl)-4,5-dihydro-1H-benzo[g]indazole
IUPAC Name: 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indazole
SYSTEMATIC NAME: 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indazole
MOLECULAR FORMULA: C16H13N3
MOLECULAR WEIGHT: 247.29452
SMILES: C1CC2=C(C3=CC=CC=C31)NN=C2C4=CN=CC=C4
Structure:
CAS RN: 58710-57-9
CAS Name: 2-methyl-3-pyridin-4-yl-4,5-dihydrobenzo[g]indazole
OPENEYE Name: 2-methyl-3-(4-pyridyl)-4,5-dihydrobenzo[g]indazole
IUPAC Name: 2-methyl-3-pyridin-4-yl-4,5-dihydrobenzo[g]indazole
SYSTEMATIC NAME: 2-methyl-3-pyridin-4-yl-4,5-dihydrobenzo[g]indazole
MOLECULAR FORMULA: C17H15N3
MOLECULAR WEIGHT: 261.3211
SMILES: CN1C(=C2CCC3=CC=CC=C3C2=N1)C4=CC=NC=C4
Structure:
CAS RN: 54714-63-5
CAS Name: 3'-(2-pyridinyl)-1-spiro[3,4-dihydronaphthalene-2,2'-oxirane]one
OPENEYE Name: 3-(2-pyridyl)spiro[oxirane-2,2'-tetralin]-1'-one
IUPAC Name: 3'-pyridin-2-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SYSTEMATIC NAME: 3'-pyridin-2-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: C1CC2(C(O2)C3=CC=CC=N3)C(=O)C4=CC=CC=C41
Structure:
CAS RN: 54569-86-7
CAS Name: 3'-pyridin-4-yl-1-spiro[3,4-dihydronaphthalene-2,2'-oxirane]one
OPENEYE Name: 3-(4-pyridyl)spiro[oxirane-2,2'-tetralin]-1'-one
IUPAC Name: 3'-pyridin-4-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SYSTEMATIC NAME: 3'-pyridin-4-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: C1CC2(C(O2)C3=CC=NC=C3)C(=O)C4=CC=CC=C41
Structure:
CAS RN: 72035-46-2
CAS Name: 2,3-bis(4-methoxyphenyl)propanenitrile
OPENEYE Name: 2,3-bis(4-methoxyphenyl)propanenitrile
IUPAC Name: 2,3-bis(4-methoxyphenyl)propanenitrile
SYSTEMATIC NAME: 2,3-bis(4-methoxyphenyl)propanenitrile
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: COC1=CC=C(C=C1)CC(C#N)C2=CC=C(C=C2)OC
Structure:
CAS RN: 63696-47-9
CAS Name: 5,5-diethyl-3-(2-hydroxyethyl)imidazolidine-2,4-dione
OPENEYE Name: 5,5-diethyl-3-(2-hydroxyethyl)imidazolidine-2,4-dione
IUPAC Name: 5,5-diethyl-3-(2-hydroxyethyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-diethyl-3-(2-hydroxyethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C9H16N2O3
MOLECULAR WEIGHT: 200.23494
SMILES: CCC1(C(=O)N(C(=O)N1)CCO)CC
Structure:
CAS RN: 63696-52-6
CAS Name: 6,6-diethyl-2,3-dihydroimidazo[2,1-b]oxazol-5-one
OPENEYE Name: 6,6-diethyl-2,3-dihydroimidazo[2,1-b]oxazol-5-one
IUPAC Name: 6,6-diethyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-5-one
SYSTEMATIC NAME: 6,6-diethyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-5-one
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: CCC1(C(=O)N2CCOC2=N1)CC
Structure:
CAS RN: 63696-49-1
CAS Name: methanesulfonic acid 2-(4,4-diethyl-2,5-dioxo-1-imidazolidinyl)ethyl ester
OPENEYE Name: 2-(4,4-diethyl-2,5-dioxo-imidazolidin-1-yl)ethyl methanesulfonate
IUPAC Name: 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)ethyl methanesulfonate
SYSTEMATIC NAME: 2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl methanesulfonate
MOLECULAR FORMULA: C10H18N2O5S
MOLECULAR WEIGHT: 278.32532
SMILES: CCC1(C(=O)N(C(=O)N1)CCOS(=O)(=O)C)CC
Structure:
CAS RN: 5208-55-9
CAS Name: 2-[(3-acetamido-1-oxopropyl)amino]-3-mercaptopropanoic acid methyl ester
OPENEYE Name: methyl 2-(3-acetamidopropanoylamino)-3-sulfanyl-propanoate
IUPAC Name: methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate
SYSTEMATIC NAME: methyl 2-(3-acetamidopropanoylamino)-3-sulfanyl-propanoate
MOLECULAR FORMULA: C9H16N2O4S
MOLECULAR WEIGHT: 248.29934
SMILES: CC(=O)NCCC(=O)NC(CS)C(=O)OC
Structure:
CAS RN: 28221-81-0
CAS Name: 1-(2-acetyl-5-benzofuranyl)ethanone
OPENEYE Name: 1-(2-acetylbenzofuran-5-yl)ethanone
IUPAC Name: 1-(2-acetyl-1-benzofuran-5-yl)ethanone
SYSTEMATIC NAME: 1-(2-ethanoyl-1-benzofuran-5-yl)ethanone
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: CC(=O)C1=CC2=C(C=C1)OC(=C2)C(=O)C
Structure:
CAS RN: 4976-25-4
CAS Name: 1-[2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-yl]ethanone
OPENEYE Name: 1-(2-isopropenyl-2,3-dihydrobenzofuran-5-yl)ethanone
IUPAC Name: 1-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SYSTEMATIC NAME: 1-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
MOLECULAR FORMULA: C13H14O2
MOLECULAR WEIGHT: 202.24906
SMILES: CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)C
Structure:
CAS RN: 26296-56-0
CAS Name: 1-[3-hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-yl]ethanone
OPENEYE Name: 1-(3-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-5-yl)ethanone
IUPAC Name: 1-(3-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SYSTEMATIC NAME: 1-(3-oxidanyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)O
Structure:
CAS RN: 41714-30-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H29NO7
MOLECULAR WEIGHT: 371.42536
SMILES: CC(C)C1C(=O)OC2CCN3C2C(COC(=O)C(C1(C)O)(C)O)C(C3)O
Structure:
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