3-[5-methyl-4-oxidanylidene-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzamide

Systemtic Name: 3-[5-methyl-4-oxidanylidene-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzamide Openeye Name: 3-[5-methyl-4-oxo-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzamide CAS Name: 3-[5-methyl-4-oxo-2-[1-(7H-purin-6-ylamino)ethyl]-3-quinazolinyl]benzamide IUPAC Name: 3-[5-methyl-4-oxo-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzamide Traditional Name: 3-[4-keto-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzamide Formula: C23H20N8O2 MolecularWeight: 440.4573

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)C(=O)N)C(C)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

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

InChI

InChI=1S/C23H20N8O2/c1-12-5-3-8-16-17(12)23(33)31(15-7-4-6-14(9-15)19(24)32)22(30-16)13(2)29-21-18-20(26-10-25-18)27-11-28-21/h3-11,13H,1-2H3,(H2,24,32)(H2,25,26,27,28,29)