N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-cyano-benzamide

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-cyano-benzamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-cyano-benzamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-4-cyanobenzamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-4-cyanobenzamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-cyano-benzamide Formula: C19H17N9O MolecularWeight: 387.39798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N9O/c1-2-9-27-16-14(23-19(27)28-10-3-8-22-28)15(21)24-18(25-16)26-17(29)13-6-4-12(11-20)5-7-13/h3-8,10H,2,9H2,1H3,(H3,21,24,25,26,29)