N-cyclopropyl-4-methyl-3-[6-[3-(1H-1,2,4-triazol-5-yl)phenyl]purin-9-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-[3-(1H-1,2,4-triazol-5-yl)phenyl]purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-[3-(1H-1,2,4-triazol-5-yl)phenyl]purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-[3-(1H-1,2,4-triazol-5-yl)phenyl]-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-[3-(1H-1,2,4-triazol-5-yl)phenyl]purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-[3-(1H-1,2,4-triazol-5-yl)phenyl]purin-9-yl]benzamide Formula: C24H20N8O MolecularWeight: 436.4686

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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)C6=NC=NN6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC(=CC=C5)C6=NC=NN6

InChI

InChI=1S/C24H20N8O/c1-14-5-6-17(24(33)30-18-7-8-18)10-19(14)32-13-28-21-20(25-11-27-23(21)32)15-3-2-4-16(9-15)22-26-12-29-31-22/h2-6,9-13,18H,7-8H2,1H3,(H,30,33)(H,26,29,31)