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

Systemtic Name: 5-cyclopropyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-cyclopropyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-cyclopropyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4CC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4CC4

InChI

InChI=1S/C20H17N3O4S2/c1-2-9-22-19(25)17-15(12-3-4-12)10-28-18(17)21-20(22)29-11-16(24)13-5-7-14(8-6-13)23(26)27/h2,5-8,10,12H,1,3-4,9,11H2