3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H16N4O3S2/c23-15(10-27-17-12-6-9-26-16(12)19-11-20-17)25-8-3-7-22-14-5-2-1-4-13(14)21-18(22)24/h1-2,4-6,9,11H,3,7-8,10H2,(H,21,24)