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

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-pentanamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-pentanamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-2-methylpentanamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-2-methylpentanamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-valeramide Formula: C17H24N8O MolecularWeight: 356.42546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CCC)N3C=CC=N3

Isomeric SMILES

CCCC(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CCC)N3C=CC=N3

InChI

InChI=1S/C17H24N8O/c1-4-7-11(3)15(26)23-16-21-13(18)12-14(22-16)24(9-5-2)17(20-12)25-10-6-8-19-25/h6,8,10-11H,4-5,7,9H2,1-3H3,(H3,18,21,22,23,26)