5-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])SC=C2C5CC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])SC=C2C5CC5

InChI

InChI=1S/C21H17N5O4S2/c1-2-9-25-20(27)17-15(12-3-4-12)10-31-19(17)22-21(25)32-11-16-23-24-18(30-16)13-5-7-14(8-6-13)26(28)29/h2,5-8,10,12H,1,3-4,9,11H2