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

Systemtic Name: 1,3-dimethyl-8-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylthio]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]-7-propylpurine-2,6-dione Traditional Name: 8-[(2-keto-1H-quinolin-4-yl)methylthio]-1,3-dimethyl-7-propyl-xanthine Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=CC(=O)NC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=CC(=O)NC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H21N5O3S/c1-4-9-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)29-11-12-10-15(26)21-14-8-6-5-7-13(12)14/h5-8,10H,4,9,11H2,1-3H3,(H,21,26)