ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(1H-benzimidazol-2-ylmethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H23N5O3S2/c1-2-30-22(29)26-10-7-14(8-11-26)27-20(28)19-17(9-12-31-19)25-21(27)32-13-18-23-15-5-3-4-6-16(15)24-18/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,23,24)