N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,5-dimethoxy-benzamide

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,5-dimethoxy-benzamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,5-dimethoxy-benzamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-3,5-dimethoxybenzamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-3,5-dimethoxybenzamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,5-dimethoxy-benzamide Formula: C20H22N8O3 MolecularWeight: 422.44048

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC(=CC(=C3)OC)OC)N)N=C1N4C=CC=N4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC(=CC(=C3)OC)OC)N)N=C1N4C=CC=N4

InChI

InChI=1S/C20H22N8O3/c1-4-7-27-17-15(23-20(27)28-8-5-6-22-28)16(21)24-19(25-17)26-18(29)12-9-13(30-2)11-14(10-12)31-3/h5-6,8-11H,4,7H2,1-3H3,(H3,21,24,25,26,29)