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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=CC5=CC=CC=C54)C

InChI

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