1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[(2-oxo-1H-quinolin-4-yl)methylthio]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 8-[(2-keto-1H-quinolin-4-yl)methylthio]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC(=O)NC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC(=O)NC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H23N5O3S/c1-31-25-24(26(35)32(2)28(31)36)33(15-18-10-7-9-17-8-3-4-11-20(17)18)27(30-25)37-16-19-14-23(34)29-22-13-6-5-12-21(19)22/h3-14H,15-16H2,1-2H3,(H,29,34)