3,7-dimethyl-1-(naphthalen-1-ylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(naphthalen-1-ylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(1-naphthylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(1-naphthalenylmethyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(naphthalen-1-ylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(1-naphthylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC5=CC=CC=C54)C

InChI

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