N-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]ethyl]-1H-quinoline-4-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCCNC(=O)C3=CC(=O)NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCCNC(=O)C3=CC(=O)NC4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O3S2/c1-11-12(2)30-21-18(11)20(28)24-16(25-21)10-29-8-7-22-19(27)14-9-17(26)23-15-6-4-3-5-13(14)15/h3-6,9H,7-8,10H2,1-2H3,(H,22,27)(H,23,26)(H,24,25,28)