[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C24H21N3O3S2/c28-21(15-30-22(29)16-32-24-20-11-12-31-23(20)25-17-26-24)27(13-18-7-3-1-4-8-18)14-19-9-5-2-6-10-19/h1-12,17H,13-16H2