6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H21N3O4S2/c1-4-19-14(2)20-21(32-19)24-23(31-13-15-7-5-9-17(11-15)26(28)29)25(22(20)27)16-8-6-10-18(12-16)30-3/h5-12H,4,13H2,1-3H3