2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=NC(=O)C4=CC=CC=C4N3)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=NC(=O)C4=CC=CC=C4N3)O

InChI

InChI=1S/C20H16N4O3S/c25-17-13-8-4-5-9-15(13)21-16(22-17)11-28-20-23-18(26)14(19(27)24-20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22,25)(H2,23,24,26,27)