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

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C20H21N3O3S2/c1-2-3-4-14-5-7-15(8-6-14)23-17(24)11-26-18(25)12-28-20-16-9-10-27-19(16)21-13-22-20/h5-10,13H,2-4,11-12H2,1H3,(H,23,24)