4-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]butanoate

Systemtic Name: 4-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]butanoate Openeye Name: 4-[2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]butanoate CAS Name: 4-[2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]butanoate IUPAC Name: 4-[2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]butanoate Traditional Name: 4-[2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]butyrate Formula: C17H22N3O4S2- MolecularWeight: 396.50428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1CCCC(=O)[O-])SC=C2

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1CCCC(=O)[O-])SC=C2

InChI

InChI=1S/C17H23N3O4S2/c1-11(2)5-7-18-13(21)10-26-17-19-12-6-9-25-15(12)16(24)20(17)8-3-4-14(22)23/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,18,21)(H,22,23)/p-1