8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C18H18N6O2/c1-11-9-12(2)24(21-11)17-19-15-14(16(25)20-18(26)22(15)3)23(17)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,20,25,26)