8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(naphthalen-1-ylmethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(naphthalen-1-ylmethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(1-naphthalenylmethyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(naphthalen-1-ylmethyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(1-naphthylmethyl)xanthine Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C25H26N6O2/c1-15(2)30-21-22(26-24(30)31-17(4)13-16(3)27-31)28(5)25(33)29(23(21)32)14-19-11-8-10-18-9-6-7-12-20(18)19/h6-13,15H,14H2,1-5H3