3-[4-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[4-oxo-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-thieno[3,2-d]pyrimidin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-3-thieno[3,2-d]pyrimidinyl]propanoate IUPAC Name: 3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylthieno[3,2-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]thieno[3,2-d]pyrimidin-3-yl]propionate Formula: C16H18N3O5S2- MolecularWeight: 396.46122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)[O-])SC=C3

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2CCC(=O)[O-])SC=C3

InChI

InChI=1S/C16H19N3O5S2/c20-12(17-8-10-2-1-6-24-10)9-26-16-18-11-4-7-25-14(11)15(23)19(16)5-3-13(21)22/h4,7,10H,1-3,5-6,8-9H2,(H,17,20)(H,21,22)/p-1