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

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(phenylmethyl)purin-9-yl]benzamide Openeye Name: 3-(6-benzylpurin-9-yl)-N-cyclopropyl-4-methyl-benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(phenylmethyl)-9-purinyl]benzamide IUPAC Name: 3-(6-benzylpurin-9-yl)-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-(6-benzylpurin-9-yl)-N-cyclopropyl-4-methyl-benzamide Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)CC5=CC=CC=C5

InChI

InChI=1S/C23H21N5O/c1-15-7-8-17(23(29)27-18-9-10-18)12-20(15)28-14-26-21-19(24-13-25-22(21)28)11-16-5-3-2-4-6-16/h2-8,12-14,18H,9-11H2,1H3,(H,27,29)