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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-ethyl-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC4=CC=CC=C43)N5C(=CC(=N5)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC4=CC=CC=C43)N5C(=CC(=N5)C)C)N(C1=O)C

InChI

InChI=1S/C24H24N6O2/c1-5-28-22(31)20-21(27(4)24(28)32)25-23(30-16(3)13-15(2)26-30)29(20)14-18-11-8-10-17-9-6-7-12-19(17)18/h6-13H,5,14H2,1-4H3