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

Systemtic Name: 5,6-dimethyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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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-])CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S2/c1-4-8-21-18(24)16-11(2)12(3)28-17(16)20-19(21)27-10-15(23)13-6-5-7-14(9-13)22(25)26/h4-7,9H,1,8,10H2,2-3H3