1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-[2-(1-piperidyl)ethylsulfanyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(2-piperidinoethylthio)xanthine Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H29N5O2S/c1-27-22-21(23(31)28(2)25(27)32)30(17-19-11-8-10-18-9-4-5-12-20(18)19)24(26-22)33-16-15-29-13-6-3-7-14-29/h4-5,8-12H,3,6-7,13-17H2,1-2H3