8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-p-anisyl-xanthine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3/c1-11-9-12(2)25(22-11)18-20-16-15(17(26)21-19(27)23(16)3)24(18)10-13-5-7-14(28-4)8-6-13/h5-9H,10H2,1-4H3,(H,21,26,27)