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

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-13-16(11-14-7-3-2-4-8-14)20(27)25-21(22-13)28-12-18-23-17-10-6-5-9-15(17)19(26)24-18/h2-10H,11-12H2,1H3,(H,22,25,27)(H,23,24,26)