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

Systemtic Name: 1-ethyl-3,7-dimethyl-8-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 1-ethyl-3,7-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione CAS Name: 1-ethyl-3,7-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylthio]purine-2,6-dione IUPAC Name: 1-ethyl-3,7-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 1-ethyl-8-[(2-keto-1H-quinolin-4-yl)methylthio]-3,7-dimethyl-xanthine Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC3=CC(=O)NC4=CC=CC=C43)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC3=CC(=O)NC4=CC=CC=C43)N(C1=O)C

InChI

InChI=1S/C19H19N5O3S/c1-4-24-17(26)15-16(23(3)19(24)27)21-18(22(15)2)28-10-11-9-14(25)20-13-8-6-5-7-12(11)13/h5-9H,4,10H2,1-3H3,(H,20,25)