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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[(4-nitrophenyl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[(4-nitrobenzyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S2/c1-8-12-14(21)17-16(18-15(12)25-13(8)9(2)20)24-7-10-3-5-11(6-4-10)19(22)23/h3-6H,7H2,1-2H3,(H,17,18,21)