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

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)benzamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)benzamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]benzamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)benzamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)benzamide Formula: C18H18N8O MolecularWeight: 362.38852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N8O/c1-2-10-25-15-13(21-18(25)26-11-6-9-20-26)14(19)22-17(23-15)24-16(27)12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3,(H3,19,22,23,24,27)