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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C)C

InChI

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