N-ethanoyl-N-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]ethanamide

Systemtic Name: N-ethanoyl-N-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]ethanamide Openeye Name: N-acetyl-N-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)acetamide CAS Name: N-acetyl-N-[9-(phenylmethyl)-8-(1-pyrazolyl)-6-purinyl]acetamide IUPAC Name: N-acetyl-N-(9-benzyl-8-pyrazol-1-ylpurin-6-yl)acetamide Traditional Name: N-acetyl-N-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)acetamide Formula: C19H17N7O2 MolecularWeight: 375.38398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=NC=NC2=C1N=C(N2CC3=CC=CC=C3)N4C=CC=N4)C(=O)C

Isomeric SMILES

CC(=O)N(C1=NC=NC2=C1N=C(N2CC3=CC=CC=C3)N4C=CC=N4)C(=O)C

InChI

InChI=1S/C19H17N7O2/c1-13(27)26(14(2)28)18-16-17(20-12-21-18)24(11-15-7-4-3-5-8-15)19(23-16)25-10-6-9-22-25/h3-10,12H,11H2,1-2H3