5-methyl-3-(2-methylphenyl)-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one

Systemtic Name: 5-methyl-3-(2-methylphenyl)-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one Openeye Name: 5-methyl-3-(o-tolyl)-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one CAS Name: 5-methyl-3-(2-methylphenyl)-2-[(7H-purin-6-ylamino)methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylphenyl)-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one Traditional Name: 5-methyl-3-(o-tolyl)-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one Formula: C22H19N7O MolecularWeight: 397.43256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CNC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CNC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(28-15-8-5-7-14(2)18(15)22(29)30)10-23-20-19-21(25-11-24-19)27-12-26-20/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25,26,27)