2-[(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-allyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-allyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=NC(=O)C3=CC=CC=C3N2)CC=C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=NC(=O)C3=CC=CC=C3N2)CC=C

InChI

InChI=1S/C17H16N4O2S/c1-3-6-11-10(2)18-17(21-15(11)22)24-9-14-19-13-8-5-4-7-12(13)16(23)20-14/h3-5,7-8H,1,6,9H2,2H3,(H,18,21,22)(H,19,20,23)