3-methyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-7H-purine-2,6-dione CAS Name: 3-methyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-7H-purine-2,6-quinone Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C16H14N6O2/c1-21-14-12(15(23)20-16(21)24)18-13(19-14)11-7-17-22(9-11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,18,19)(H,20,23,24)