2-[[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC3=NC(=O)C4=CC=CC=C4N3)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC3=NC(=O)C4=CC=CC=C4N3)N

InChI

InChI=1S/C20H17N5O2S/c1-12-5-4-6-13(9-12)25-16(21)10-18(26)24-20(25)28-11-17-22-15-8-3-2-7-14(15)19(27)23-17/h2-10H,11,21H2,1H3,(H,22,23,27)