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

Systemtic Name: methyl 5-[1-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 5-[1-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate CAS Name: 5-[1-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[1-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylate Traditional Name: 5-[1-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S2/c1-8(25-16-20-13(17)5-14(21-16)24-3)11-4-9-10(15(22)23-2)6-18-12(9)7-19-11/h4-8,18H,1-3H3,(H2,17,20,21)