9-cyclopropyl-N-[(4-methylphenyl)methyl]-8-pyridin-4-yl-purin-2-amine

Systemtic Name: 9-cyclopropyl-N-[(4-methylphenyl)methyl]-8-pyridin-4-yl-purin-2-amine Openeye Name: 9-cyclopropyl-N-(p-tolylmethyl)-8-(4-pyridyl)purin-2-amine CAS Name: 9-cyclopropyl-N-[(4-methylphenyl)methyl]-8-pyridin-4-yl-2-purinamine IUPAC Name: 9-cyclopropyl-N-[(4-methylphenyl)methyl]-8-pyridin-4-ylpurin-2-amine Traditional Name: [9-cyclopropyl-8-(4-pyridyl)purin-2-yl]-(4-methylbenzyl)amine Formula: C21H20N6 MolecularWeight: 356.4237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=C3C(=N2)N(C(=N3)C4=CC=NC=C4)C5CC5

InChI

InChI=1S/C21H20N6/c1-14-2-4-15(5-3-14)12-23-21-24-13-18-20(26-21)27(17-6-7-17)19(25-18)16-8-10-22-11-9-16/h2-5,8-11,13,17H,6-7,12H2,1H3,(H,23,24,26)