6-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]hexanoate

Systemtic Name: 6-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]hexanoate Openeye Name: 6-[4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]hexanoate CAS Name: 6-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]hexanoate IUPAC Name: 6-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]hexanoate Traditional Name: 6-[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]thieno[3,2-d]pyrimidin-3-yl]hexanoate Formula: C18H24N3O4S2- MolecularWeight: 410.53086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CCCCCC(=O)[O-])SC=C2

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CCCCCC(=O)[O-])SC=C2

InChI

InChI=1S/C18H25N3O4S2/c1-3-12(2)19-14(22)11-27-18-20-13-8-10-26-16(13)17(25)21(18)9-6-4-5-7-15(23)24/h8,10,12H,3-7,9,11H2,1-2H3,(H,19,22)(H,23,24)/p-1