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

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-propyl-pentanamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-propyl-pentanamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-2-propylpentanamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-2-propylpentanamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-propyl-valeramide Formula: C19H28N8O MolecularWeight: 384.47862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N8O/c1-4-8-13(9-5-2)17(28)25-18-23-15(20)14-16(24-18)26(11-6-3)19(22-14)27-12-7-10-21-27/h7,10,12-13H,4-6,8-9,11H2,1-3H3,(H3,20,23,24,25,28)