5,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopropyl-5,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-propan-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isopropyl-2-[[2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-])C(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-])C(C)C)C

InChI

InChI=1S/C22H24N4O4S2/c1-12(2)25-21(28)19-13(3)14(4)32-20(19)23-22(25)31-11-18(27)24-9-5-6-15-10-16(26(29)30)7-8-17(15)24/h7-8,10,12H,5-6,9,11H2,1-4H3