2-[(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(7-aminotriazolo[4,5-d]pyrimidin-1-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(7-amino-1-triazolo[4,5-d]pyrimidinyl)methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(7-aminotriazolo[4,5-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(7-aminotriazolo[4,5-d]pyrimidin-1-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=C(N=CN=C5N)N=N4

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=C(N=CN=C5N)N=N4

InChI

InChI=1S/C21H18N8O/c1-12-6-3-4-9-15(12)29-16(25-14-8-5-7-13(2)17(14)21(29)30)10-28-18-19(22)23-11-24-20(18)26-27-28/h3-9,11H,10H2,1-2H3,(H2,22,23,24)