N-cyclopropyl-4-methyl-3-(6-phenylazanylpurin-9-yl)benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-(6-phenylazanylpurin-9-yl)benzamide Openeye Name: 3-(6-anilinopurin-9-yl)-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-(6-anilino-9-purinyl)-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-(6-anilinopurin-9-yl)-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-(6-anilinopurin-9-yl)-N-cyclopropyl-4-methyl-benzamide Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC5=CC=CC=C5

InChI

InChI=1S/C22H20N6O/c1-14-7-8-15(22(29)27-17-9-10-17)11-18(14)28-13-25-19-20(23-12-24-21(19)28)26-16-5-3-2-4-6-16/h2-8,11-13,17H,9-10H2,1H3,(H,27,29)(H,23,24,26)