N-(phenylcarbonyl)-N-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]benzamide

Systemtic Name: N-(phenylcarbonyl)-N-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]benzamide Openeye Name: N-benzoyl-N-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)benzamide CAS Name: N-benzoyl-N-[9-(phenylmethyl)-8-(1-pyrazolyl)-6-purinyl]benzamide IUPAC Name: N-benzoyl-N-(9-benzyl-8-pyrazol-1-ylpurin-6-yl)benzamide Traditional Name: N-benzoyl-N-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)benzamide Formula: C29H21N7O2 MolecularWeight: 499.52274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)N=C2N6C=CC=N6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)N=C2N6C=CC=N6

InChI

InChI=1S/C29H21N7O2/c37-27(22-13-6-2-7-14-22)36(28(38)23-15-8-3-9-16-23)26-24-25(30-20-31-26)34(19-21-11-4-1-5-12-21)29(33-24)35-18-10-17-32-35/h1-18,20H,19H2