2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylpropyl)-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylpropyl)-6-oxidanyl-pyrimidin-4-one Openeye Name: 2-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-6-hydroxy-1-isobutyl-pyrimidin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl]thio]-6-hydroxy-1-(2-methylpropyl)-4-pyrimidinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-6-hydroxy-1-(2-methylpropyl)pyrimidin-4-one Traditional Name: 2-[[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl]thio]-6-hydroxy-1-isobutyl-pyrimidin-4-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=O)C=C(N3CC(C)C)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=O)C=C(N3CC(C)C)O)C

InChI

InChI=1S/C23H27N3O3S/c1-14(2)12-25-22(29)11-21(28)24-23(25)30-13-20(27)19-10-16(4)26(17(19)5)18-8-6-15(3)7-9-18/h6-11,14,29H,12-13H2,1-5H3