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

Systemtic Name: 2-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-keto-6-(4-methoxyphenyl)-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:

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H16N4O3S/c1-27-13-8-6-12(7-9-13)16-10-18(25)24-20(22-16)28-11-17-21-15-5-3-2-4-14(15)19(26)23-17/h2-10H,11H2,1H3,(H,21,23,26)(H,22,24,25)