diethyl 5-azanyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H19N5O4S2 MolecularWeight: 421.49386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=NN3C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=NN3C)C(=O)OCC)N

InChI

InChI=1S/C17H19N5O4S2/c1-4-25-16(23)11-10(12(28-13(11)18)17(24)26-5-2)7-27-15-9-6-21-22(3)14(9)19-8-20-15/h6,8H,4-5,7,18H2,1-3H3