ethyl 5-azanyl-4-cyano-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H16N6O2S2 MolecularWeight: 436.51004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H16N6O2S2/c1-2-28-20(27)16-15(13(8-21)17(22)30-16)10-29-19-14-9-25-26(18(14)23-11-24-19)12-6-4-3-5-7-12/h3-7,9,11H,2,10,22H2,1H3