N-[3-(aminomethyl)phenyl]-9-cyclopropyl-8-pyridin-4-yl-purin-2-amine

Systemtic Name: N-[3-(aminomethyl)phenyl]-9-cyclopropyl-8-pyridin-4-yl-purin-2-amine Openeye Name: N-[3-(aminomethyl)phenyl]-9-cyclopropyl-8-(4-pyridyl)purin-2-amine CAS Name: N-[3-(aminomethyl)phenyl]-9-cyclopropyl-8-pyridin-4-yl-2-purinamine IUPAC Name: N-[3-(aminomethyl)phenyl]-9-cyclopropyl-8-pyridin-4-ylpurin-2-amine Traditional Name: [3-(aminomethyl)phenyl]-[9-cyclopropyl-8-(4-pyridyl)purin-2-yl]amine Formula: C20H19N7 MolecularWeight: 357.41176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CN=C(N=C32)NC4=CC=CC(=C4)CN)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NC3=CN=C(N=C32)NC4=CC=CC(=C4)CN)C5=CC=NC=C5

InChI

InChI=1S/C20H19N7/c21-11-13-2-1-3-15(10-13)24-20-23-12-17-19(26-20)27(16-4-5-16)18(25-17)14-6-8-22-9-7-14/h1-3,6-10,12,16H,4-5,11,21H2,(H,23,24,26)