N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-butanamide

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-butanamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-butanamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-2-methylbutanamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-2-methylbutanamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-butyramide Formula: C16H22N8O MolecularWeight: 342.39888

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(=O)C(C)CC)N)N=C1N3C=CC=N3

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NC(=O)C(C)CC)N)N=C1N3C=CC=N3

InChI

InChI=1S/C16H22N8O/c1-4-8-23-13-11(19-16(23)24-9-6-7-18-24)12(17)20-15(21-13)22-14(25)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H3,17,20,21,22,25)