2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)C3=C(N(C(=C3)C)CC=C)C)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)C3=C(N(C(=C3)C)CC=C)C)C

InChI

InChI=1S/C20H22N4O2S/c1-6-7-24-13(4)9-15(14(24)5)16(25)10-27-20-22-18-17(19(26)23-20)11(2)8-12(3)21-18/h6,8-9H,1,7,10H2,2-5H3,(H,21,22,23,26)