2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(6-oxo-3,7-dihydropurin-2-yl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(6-keto-3,7-dihydropurin-2-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C14H10N6O2S MolecularWeight: 326.3332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)CSC3=NC(=O)C4=C(N3)N=CN4

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)CSC3=NC(=O)C4=C(N3)N=CN4

InChI

InChI=1S/C14H10N6O2S/c21-10-5-8(17-9-3-1-2-4-20(9)10)6-23-14-18-12-11(13(22)19-14)15-7-16-12/h1-5,7H,6H2,(H2,15,16,18,19,22)