N-cyclopropyl-4-methyl-3-[6-[(phenylmethyl)amino]purin-9-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-[(phenylmethyl)amino]purin-9-yl]benzamide Openeye Name: 3-[6-(benzylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-[(phenylmethyl)amino]-9-purinyl]benzamide IUPAC Name: 3-[6-(benzylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(benzylamino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NCC5=CC=CC=C5

InChI

InChI=1S/C23H22N6O/c1-15-7-8-17(23(30)28-18-9-10-18)11-19(15)29-14-27-20-21(25-13-26-22(20)29)24-12-16-5-3-2-4-6-16/h2-8,11,13-14,18H,9-10,12H2,1H3,(H,28,30)(H,24,25,26)