N-[9-ethyl-2-[(phenylmethyl)amino]-8-pyrazol-1-yl-purin-6-yl]-2-methoxy-ethanamide

Systemtic Name: N-[9-ethyl-2-[(phenylmethyl)amino]-8-pyrazol-1-yl-purin-6-yl]-2-methoxy-ethanamide Openeye Name: N-[2-(benzylamino)-9-ethyl-8-pyrazol-1-yl-purin-6-yl]-2-methoxy-acetamide CAS Name: N-[9-ethyl-2-[(phenylmethyl)amino]-8-(1-pyrazolyl)-6-purinyl]-2-methoxyacetamide IUPAC Name: N-[2-(benzylamino)-9-ethyl-8-pyrazol-1-ylpurin-6-yl]-2-methoxyacetamide Traditional Name: N-[2-(benzylamino)-9-ethyl-8-pyrazol-1-yl-purin-6-yl]-2-methoxy-acetamide Formula: C20H22N8O2 MolecularWeight: 406.44108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)NC(=O)COC)N=C1N4C=CC=N4

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)NC(=O)COC)N=C1N4C=CC=N4

InChI

InChI=1S/C20H22N8O2/c1-3-27-18-16(24-20(27)28-11-7-10-22-28)17(23-15(29)13-30-2)25-19(26-18)21-12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H2,21,23,25,26,29)