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

Systemtic Name: 3-(3-methoxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C23H21N7O2 MolecularWeight: 427.45854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)OC)C(C)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)OC)C(C)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H21N7O2/c1-13-6-4-9-17-18(13)23(31)30(15-7-5-8-16(10-15)32-3)22(29-17)14(2)28-21-19-20(25-11-24-19)26-12-27-21/h4-12,14H,1-3H3,(H2,24,25,26,27,28)