2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-octyl-pyrimidine-4,6-dione

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-octyl-pyrimidine-4,6-dione Openeye Name: 2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-octyl-pyrimidine-4,6-dione CAS Name: 2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-1-octylpyrimidine-4,6-dione IUPAC Name: 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1-octylpyrimidine-4,6-dione Traditional Name: 2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-1-octyl-pyrimidine-4,6-quinone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CC(=O)N=C1SCC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CCCCCCCCN1C(=O)CC(=O)N=C1SCC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

InChI=1S/C22H28N4O3S/c1-3-4-5-6-7-8-11-25-21(29)13-19(27)24-22(25)30-15-17-12-20(28)26-14-16(2)9-10-18(26)23-17/h9-10,12,14H,3-8,11,13,15H2,1-2H3