methyl 2-[[5-cyano-2-methyl-4-(2-phenylhydrazinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-cyano-2-methyl-4-(2-phenylhydrazinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-cyano-2-methyl-4-(2-phenylhydrazino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-2-methyl-4-(phenylhydrazo)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-cyano-2-methyl-4-(2-phenylhydrazinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-methyl-4-(N'-phenylhydrazino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]thio]acetic acid methyl ester Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(N2)SCC(=O)OC)C#N)C(=N1)NNC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C(=C(N2)SCC(=O)OC)C#N)C(=N1)NNC3=CC=CC=C3

InChI

InChI=1S/C17H16N6O2S/c1-10-19-15-14(12(8-18)17(21-15)26-9-13(24)25-2)16(20-10)23-22-11-6-4-3-5-7-11/h3-7,22H,9H2,1-2H3,(H2,19,20,21,23)