5-methyl-3-(2-methylphenyl)-2-[2-phenylmethoxy-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Systemtic Name: 5-methyl-3-(2-methylphenyl)-2-[2-phenylmethoxy-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 2-[2-benzyloxy-1-(7H-purin-6-ylamino)ethyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-methylphenyl)-2-[2-phenylmethoxy-1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylphenyl)-2-[2-phenylmethoxy-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 2-[2-benzoxy-1-(7H-purin-6-ylamino)ethyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C30H27N7O2 MolecularWeight: 517.58108

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)C(COCC4=CC=CC=C4)NC5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)C(COCC4=CC=CC=C4)NC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C30H27N7O2/c1-19-9-6-7-14-24(19)37-29(36-22-13-8-10-20(2)25(22)30(37)38)23(16-39-15-21-11-4-3-5-12-21)35-28-26-27(32-17-31-26)33-18-34-28/h3-14,17-18,23H,15-16H2,1-2H3,(H2,31,32,33,34,35)