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

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-phenyl-benzamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-phenyl-benzamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-4-phenylbenzamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-4-phenylbenzamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-4-phenyl-benzamide Formula: C24H22N8O MolecularWeight: 438.48448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N)N=C1N5C=CC=N5

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N)N=C1N5C=CC=N5

InChI

InChI=1S/C24H22N8O/c1-2-14-31-21-19(27-24(31)32-15-6-13-26-32)20(25)28-23(29-21)30-22(33)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-13,15H,2,14H2,1H3,(H3,25,28,29,30,33)