3-[6-[3-(cyclopentylcarbamoyl)phenyl]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-[3-(cyclopentylcarbamoyl)phenyl]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-[3-(cyclopentylcarbamoyl)phenyl]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-[3-[(cyclopentylamino)-oxomethyl]phenyl]-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-[3-(cyclopentylcarbamoyl)phenyl]purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-[3-(cyclopentylcarbamoyl)phenyl]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C28H28N6O2 MolecularWeight: 480.56092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC(=CC=C5)C(=O)NC6CCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC(=CC=C5)C(=O)NC6CCCC6

InChI

InChI=1S/C28H28N6O2/c1-17-9-10-20(28(36)33-22-11-12-22)14-23(17)34-16-31-25-24(29-15-30-26(25)34)18-5-4-6-19(13-18)27(35)32-21-7-2-3-8-21/h4-6,9-10,13-16,21-22H,2-3,7-8,11-12H2,1H3,(H,32,35)(H,33,36)