3-(8-azanyl-6-phenyl-purin-9-yl)-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-(8-azanyl-6-phenyl-purin-9-yl)-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-(8-amino-6-phenyl-purin-9-yl)-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-(8-amino-6-phenyl-9-purinyl)-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-(8-amino-6-phenylpurin-9-yl)-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-(8-amino-6-phenyl-purin-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)N3C4=NC=NC(=C4N=C3N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C4=NC=NC(=C4N=C3N)C5=CC=CC=C5

InChI

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