6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-methyl-2-[(3-nitrophenyl)methylthio]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methyl-2-[(3-nitrobenzyl)thio]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C32H28N4O4S2 MolecularWeight: 596.71912

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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)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C32H28N4O4S2/c1-21-27-29(42-28(21)31(38)34-16-15-24-11-5-6-12-25(24)19-34)33-32(41-20-23-10-7-13-26(18-23)36(39)40)35(30(27)37)17-14-22-8-3-2-4-9-22/h2-13,18H,14-17,19-20H2,1H3