5-methyl-6-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-6-morpholin-4-ylcarbonyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-6-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[4-morpholinyl(oxo)methyl]-2-[(3-nitrophenyl)methylthio]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-6-(morpholine-4-carbonyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-6-(morpholine-4-carbonyl)-2-[(3-nitrobenzyl)thio]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H26N4O5S2 MolecularWeight: 550.64914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4)C(=O)N5CCOCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4)C(=O)N5CCOCC5

InChI

InChI=1S/C27H26N4O5S2/c1-18-22-24(38-23(18)26(33)29-12-14-36-15-13-29)28-27(37-17-20-8-5-9-21(16-20)31(34)35)30(25(22)32)11-10-19-6-3-2-4-7-19/h2-9,16H,10-15,17H2,1H3