3,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-3,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)C)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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