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

Systemtic Name: dimethyl 5-azanyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)OC)N

InChI

InChI=1S/C20H17N5O4S2/c1-28-19(26)14-13(15(20(27)29-2)31-16(14)21)9-30-18-12-8-24-25(17(12)22-10-23-18)11-6-4-3-5-7-11/h3-8,10H,9,21H2,1-2H3