1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[[2-oxo-2-(1-piperidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-oxo-2-piperidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H27N5O3S/c1-27-22-21(23(32)28(2)25(27)33)30(15-18-11-8-10-17-9-4-5-12-19(17)18)24(26-22)34-16-20(31)29-13-6-3-7-14-29/h4-5,8-12H,3,6-7,13-16H2,1-2H3