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

Systemtic Name: methyl 5-[1-(4-azanyl-6-cyano-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 5-[1-(4-amino-6-cyano-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carboxylate CAS Name: 5-[1-[(4-amino-6-cyano-2-pyrimidinyl)thio]ethyl]-1-methyl-3-pyrrolo[2,3-c]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[1-(4-amino-6-cyanopyrimidin-2-yl)sulfanylethyl]-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate Traditional Name: 5-[1-[(4-amino-6-cyano-pyrimidin-2-yl)thio]ethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2C)C(=O)OC)SC3=NC(=CC(=N3)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2C)C(=O)OC)SC3=NC(=CC(=N3)N)C#N

InChI

InChI=1S/C17H16N6O2S/c1-9(26-17-21-10(6-18)4-15(19)22-17)13-5-11-12(16(24)25-3)8-23(2)14(11)7-20-13/h4-5,7-9H,1-3H3,(H2,19,21,22)