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

Systemtic Name: 3-methyl-1-[(2-methylphenyl)methyl]-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-1-(o-tolylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-[(2-methylphenyl)methyl]-7-propan-2-yl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-[(2-methylphenyl)methyl]-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-1-(2-methylbenzyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C(C)C)N4C(=C(C(=N4)C)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C(C)C)N4C(=C(C(=N4)C)C)C)N(C2=O)C

InChI

InChI=1S/C23H28N6O2/c1-13(2)28-19-20(24-22(28)29-17(6)15(4)16(5)25-29)26(7)23(31)27(21(19)30)12-18-11-9-8-10-14(18)3/h8-11,13H,12H2,1-7H3