methyl 5-[1-(4-azanyl-6-cyano-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 5-[1-(4-azanyl-6-cyano-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 5-[1-(4-amino-6-cyano-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate CAS Name: 5-[1-[(4-amino-6-cyano-2-pyrimidinyl)thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[1-(4-amino-6-cyanopyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate Traditional Name: 5-[1-[(4-amino-6-cyano-pyrimidin-2-yl)thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C16H14N6O2S MolecularWeight: 354.38636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2)C(=O)OC)SC3=NC(=CC(=N3)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2)C(=O)OC)SC3=NC(=CC(=N3)N)C#N

InChI

InChI=1S/C16H14N6O2S/c1-8(25-16-21-9(5-17)3-14(18)22-16)12-4-10-11(15(23)24-2)6-19-13(10)7-20-12/h3-4,6-8,19H,1-2H3,(H2,18,21,22)