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

Systemtic Name: 5-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoate Openeye Name: 5-[2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]pentanoate CAS Name: 5-[2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]pentanoate IUPAC Name: 5-[2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]pentanoate Traditional Name: 5-[2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]valerate Formula: C18H24N3O4S2- MolecularWeight: 410.53086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1CCCCC(=O)[O-])SC=C2

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1CCCCC(=O)[O-])SC=C2

InChI

InChI=1S/C18H25N3O4S2/c1-12(2)6-8-19-14(22)11-27-18-20-13-7-10-26-16(13)17(25)21(18)9-4-3-5-15(23)24/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,19,22)(H,23,24)/p-1