5-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoate

Systemtic Name: 5-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoate Openeye Name: 5-[4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]pentanoate CAS Name: 5-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]pentanoate IUPAC Name: 5-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]pentanoate Traditional Name: 5-[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]thieno[3,2-d]pyrimidin-3-yl]valerate Formula: C17H22N3O4S2- MolecularWeight: 396.50428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CCCCC(=O)[O-])SC=C2

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CCCCC(=O)[O-])SC=C2

InChI

InChI=1S/C17H23N3O4S2/c1-3-11(2)18-13(21)10-26-17-19-12-7-9-25-15(12)16(24)20(17)8-5-4-6-14(22)23/h7,9,11H,3-6,8,10H2,1-2H3,(H,18,21)(H,22,23)/p-1