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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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