2-[(6-azanyl-3,6-dihydropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(6-azanyl-3,6-dihydropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(6-amino-3,6-dihydropurin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(6-amino-3,6-dihydropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-amino-3,6-dihydropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(6-amino-3,6-dihydropurin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C22H21N7O MolecularWeight: 399.44844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4NC=NC5N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C4NC=NC5N

InChI

InChI=1S/C22H21N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12,20H,10,23H2,1-2H3,(H,24,25)