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

Systemtic Name: ethyl 2-[[5-cyano-2-methyl-4-(2-phenylhydrazinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C2=C(N1)N=C(N=C2NNC3=CC=CC=C3)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C2=C(N1)N=C(N=C2NNC3=CC=CC=C3)C)C#N

InChI

InChI=1S/C18H18N6O2S/c1-3-26-14(25)10-27-18-13(9-19)15-16(22-18)20-11(2)21-17(15)24-23-12-7-5-4-6-8-12/h4-8,23H,3,10H2,1-2H3,(H2,20,21,22,24)