9-cyclopropyl-N-phenethyl-8-pyridin-4-yl-purin-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CN=C(N=C32)NCCC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NC3=CN=C(N=C32)NCCC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C21H20N6/c1-2-4-15(5-3-1)8-13-23-21-24-14-18-20(26-21)27(17-6-7-17)19(25-18)16-9-11-22-12-10-16/h1-5,9-12,14,17H,6-8,13H2,(H,23,24,26)