3-(furan-2-ylmethyl)-5,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-5,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-furylmethyl)-5,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-furanylmethyl)-5,6-dimethyl-2-[(4-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(furan-2-ylmethyl)-5,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-furfuryl)-5,6-dimethyl-2-[(4-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CO4)C

InChI

InChI=1S/C20H17N3O4S2/c1-12-13(2)29-18-17(12)19(24)22(10-16-4-3-9-27-16)20(21-18)28-11-14-5-7-15(8-6-14)23(25)26/h3-9H,10-11H2,1-2H3