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

Systemtic Name: 3-(4-bromophenyl)-2-butylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(4-bromophenyl)-2-butylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-bromophenyl)-2-(butylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-(4-bromophenyl)-2-butylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-bromophenyl)-2-(butylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C16H17BrN2OS2 MolecularWeight: 397.35298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SCC2

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SCC2

InChI

InChI=1S/C16H17BrN2OS2/c1-2-3-9-22-16-18-13-8-10-21-14(13)15(20)19(16)12-6-4-11(17)5-7-12/h4-7H,2-3,8-10H2,1H3