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

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-[benzyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H17N3O3S2/c1-21(9-13-5-3-2-4-6-13)15(22)10-24-16(23)11-26-18-14-7-8-25-17(14)19-12-20-18/h2-8,12H,9-11H2,1H3