6-azanyl-2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-1H-pyrimidin-4-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C21H24N4O3S/c1-13-10-17(18(26)12-29-21-23-19(22)11-20(27)24-21)14(2)25(13)9-8-15-4-6-16(28-3)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H3,22,23,24,27)