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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H20N6O2/c1-12-10-13(2)25(21-12)18-20-16-15(22(18)3)17(26)24(19(27)23(16)4)11-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3