2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=CC(=O)N3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C13H10N4O3S/c18-10-5-11(19)17-13(16-10)21-6-9-14-8-4-2-1-3-7(8)12(20)15-9/h1-5H,6H2,(H,14,15,20)(H2,16,17,18,19)