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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H26N6O3/c1-7-26-18-19(23-21(26)28-15(4)13(2)14(3)24-28)25(5)22(30)27(20(18)29)12-16-8-10-17(31-6)11-9-16/h8-11H,7,12H2,1-6H3