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

Systemtic Name: 5-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoate Openeye Name: 5-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]pentanoate CAS Name: 5-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]pentanoate IUPAC Name: 5-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]pentanoate Traditional Name: 5-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]valerate Formula: C18H18N3O5S2- MolecularWeight: 420.48262

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CCCCC(=O)[O-])SC=C3

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CCCCC(=O)[O-])SC=C3

InChI

InChI=1S/C18H19N3O5S2/c22-14(19-10-12-4-3-8-26-12)11-28-18-20-13-6-9-27-16(13)17(25)21(18)7-2-1-5-15(23)24/h3-4,6,8-9H,1-2,5,7,10-11H2,(H,19,22)(H,23,24)/p-1