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

Systemtic Name: methyl 5-[1-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 5-[1-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carboxylate CAS Name: 5-[1-[(4-amino-6-chloro-2-pyrimidinyl)thio]ethyl]-1-methyl-3-pyrrolo[2,3-c]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[1-(4-amino-6-chloropyrimidin-2-yl)sulfanylethyl]-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate Traditional Name: 5-[1-[(4-amino-6-chloro-pyrimidin-2-yl)thio]ethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S/c1-8(25-16-20-13(17)5-14(18)21-16)11-4-9-10(15(23)24-3)7-22(2)12(9)6-19-11/h4-8H,1-3H3,(H2,18,20,21)