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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(1-naphthylmethyl)xanthine Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c1-14-12-15(2)29(25-14)22-24-20-19(26(22)3)21(30)28(23(31)27(20)4)13-17-10-7-9-16-8-5-6-11-18(16)17/h5-12H,13H2,1-4H3