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

Systemtic Name: methyl 5-[1-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 5-[1-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate CAS Name: 5-[1-[(4-amino-6-chloro-2-pyrimidinyl)thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[1-(4-amino-6-chloropyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate Traditional Name: 5-[1-[(4-amino-6-chloro-pyrimidin-2-yl)thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O2S/c1-7(24-15-20-12(16)4-13(17)21-15)10-3-8-9(14(22)23-2)5-18-11(8)6-19-10/h3-7,18H,1-2H3,(H2,17,20,21)