3-(4-methylphenyl)-6-phenacyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(4-methylphenyl)-6-phenacyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-phenacyl-3-(p-tolyl)triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(4-methylphenyl)-6-phenacyl-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 3-(4-methylphenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-phenacyl-3-(p-tolyl)triazolo[4,5-d]pyrimidin-7-one Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)N=N2

InChI

InChI=1S/C19H15N5O2/c1-13-7-9-15(10-8-13)24-18-17(21-22-24)19(26)23(12-20-18)11-16(25)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3