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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C20H22N6O3/c1-12-11-13(2)26(23-12)19-21-17-16(18(27)22-20(28)24(17)3)25(19)10-9-14-5-7-15(29-4)8-6-14/h5-8,11H,9-10H2,1-4H3,(H,22,27,28)