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

Systemtic Name: methyl 2-[(5-cyano-2-methyl-4-phenylazanyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-anilino-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate CAS Name: 2-[(4-anilino-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-anilino-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]acetate Traditional Name: 2-[(4-anilino-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]acetic acid methyl ester Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(N2)SCC(=O)OC)C#N)C(=N1)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C(=C(N2)SCC(=O)OC)C#N)C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C17H15N5O2S/c1-10-19-15(21-11-6-4-3-5-7-11)14-12(8-18)17(22-16(14)20-10)25-9-13(23)24-2/h3-7H,9H2,1-2H3,(H2,19,20,21,22)