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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC=C3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC=C3C4=CC=CC=C4

InChI

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