N-methyl-2-[6-[(phenylmethyl)amino]purin-9-yl]cyclopent-3-ene-1-carboxamide

Systemtic Name: N-methyl-2-[6-[(phenylmethyl)amino]purin-9-yl]cyclopent-3-ene-1-carboxamide Openeye Name: 2-[6-(benzylamino)purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide CAS Name: N-methyl-2-[6-[(phenylmethyl)amino]-9-purinyl]-1-cyclopent-3-enecarboxamide IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-N-methylcyclopent-3-ene-1-carboxamide Traditional Name: 2-[6-(benzylamino)purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide Formula: C19H20N6O MolecularWeight: 348.4017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O/c1-20-19(26)14-8-5-9-15(14)25-12-24-16-17(22-11-23-18(16)25)21-10-13-6-3-2-4-7-13/h2-7,9,11-12,14-15H,8,10H2,1H3,(H,20,26)(H,21,22,23)