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

Systemtic Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-(3,5-dimethyl-1-pyrazolyl)-1-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-p-anisyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H28N6O3/c1-6-7-12-27-19-20(24-22(27)29-16(3)13-15(2)25-29)26(4)23(31)28(21(19)30)14-17-8-10-18(32-5)11-9-17/h8-11,13H,6-7,12,14H2,1-5H3