N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide Openeye Name: N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(5-pyrimidinyl)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(5-pyrimidyl)purin-9-yl]benzamide Formula: C20H17N7O MolecularWeight: 371.39528

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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=CN=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C20H17N7O/c1-12-2-3-13(20(28)26-15-4-5-15)6-16(12)27-11-25-18-17(23-10-24-19(18)27)14-7-21-9-22-8-14/h2-3,6-11,15H,4-5H2,1H3,(H,26,28)