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

Systemtic Name: 3-[6-(3-aminocarbonylphenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(3-carbamoylphenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(3-carbamoylphenyl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(3-carbamoylphenyl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(3-carbamoylphenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C23H20N6O2 MolecularWeight: 412.4439

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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)C5=CC(=CC=C5)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6O2/c1-13-5-6-16(23(31)28-17-7-8-17)10-18(13)29-12-27-20-19(25-11-26-22(20)29)14-3-2-4-15(9-14)21(24)30/h2-6,9-12,17H,7-8H2,1H3,(H2,24,30)(H,28,31)