1,3-dimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C26H29N5O3S/c1-17-11-13-30(14-12-17)21(32)16-35-25-27-23-22(24(33)29(3)26(34)28(23)2)31(25)15-19-9-6-8-18-7-4-5-10-20(18)19/h4-10,17H,11-16H2,1-3H3