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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-1-propyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-1-propyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-[(4-methoxyphenyl)methyl]-3-methyl-1-propylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-3-methyl-1-propylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-p-anisyl-1-propyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)N4C(=CC(=N4)C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)N4C(=CC(=N4)C)C)N(C1=O)C

InChI

InChI=1S/C22H26N6O3/c1-6-11-26-20(29)18-19(25(4)22(26)30)23-21(28-15(3)12-14(2)24-28)27(18)13-16-7-9-17(31-5)10-8-16/h7-10,12H,6,11,13H2,1-5H3