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

Systemtic Name: methyl 2-[2-[(4-oxidanylidene-7-phenyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-isopropyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(4-oxo-7-phenyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-oxo-7-phenyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3-isopropyl-4-keto-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H24N4O4S/c1-15(2)29-23(31)22-21(18(13-26-22)16-9-5-4-6-10-16)28-25(29)34-14-20(30)27-19-12-8-7-11-17(19)24(32)33-3/h4-13,15,26H,14H2,1-3H3,(H,27,30)