N-cyclopropyl-4-methyl-3-(6-pyridin-2-ylpurin-9-yl)benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-(6-pyridin-2-ylpurin-9-yl)benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(2-pyridyl)purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(2-pyridinyl)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-(6-pyridin-2-ylpurin-9-yl)benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(2-pyridyl)purin-9-yl]benzamide Formula: C21H18N6O MolecularWeight: 370.40722

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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=N5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=CC=N5

InChI

InChI=1S/C21H18N6O/c1-13-5-6-14(21(28)26-15-7-8-15)10-17(13)27-12-25-19-18(23-11-24-20(19)27)16-4-2-3-9-22-16/h2-6,9-12,15H,7-8H2,1H3,(H,26,28)