methyl 2-[2-[(3-ethyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(3-ethyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-ethyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-ethyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-ethyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3-ethyl-4-keto-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C24H22N4O4S/c1-3-28-22(30)21-20(17(13-25-21)15-9-5-4-6-10-15)27-24(28)33-14-19(29)26-18-12-8-7-11-16(18)23(31)32-2/h4-13,25H,3,14H2,1-2H3,(H,26,29)