3,5,6-trimethyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-9-10(2)26-15-14(9)16(22)19(3)17(18-15)25-8-13(21)11-5-4-6-12(7-11)20(23)24/h4-7H,8H2,1-3H3