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

Systemtic Name: methyl 2-[2-[(3-cyclopropyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-cyclopropyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyclopropyl-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-cyclopropyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyclopropyl-4-keto-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2C4CC4)NC=C3C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2C4CC4)NC=C3C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O4S/c1-33-24(32)17-9-5-6-10-19(17)27-20(30)14-34-25-28-21-18(15-7-3-2-4-8-15)13-26-22(21)23(31)29(25)16-11-12-16/h2-10,13,16,26H,11-12,14H2,1H3,(H,27,30)