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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-(2-methoxyethyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)N(C3=O)CCOC)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)N(C3=O)CCOC)C

InChI

InChI=1S/C22H26N6O3/c1-14-7-6-8-17(11-14)13-27-18-19(23-21(27)28-16(3)12-15(2)24-28)25(4)22(30)26(20(18)29)9-10-31-5/h6-8,11-12H,9-10,13H2,1-5H3