2-butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-(butylthio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(butylthio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])SCC2

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])SCC2

InChI

InChI=1S/C16H17N3O3S2/c1-2-3-9-24-16-17-13-8-10-23-14(13)15(20)18(16)11-4-6-12(7-5-11)19(21)22/h4-7H,2-3,8-10H2,1H3