1,3-dimethyl-7-[2-(4-methylquinolin-2-yl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylquinolin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[(4-methyl-2-quinolyl)sulfanyl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(4-methyl-2-quinolinyl)thio]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylquinolin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(4-methyl-2-quinolyl)thio]ethyl]xanthine Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H19N5O2S/c1-12-10-15(21-14-7-5-4-6-13(12)14)27-9-8-24-11-20-17-16(24)18(25)23(3)19(26)22(17)2/h4-7,10-11H,8-9H2,1-3H3