2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C23H22N6O5S2 MolecularWeight: 526.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H22N6O5S2/c1-13-17(23(32)34-9-8-33-2)22(36-18(13)19(24)31)28-16(30)11-35-21-15-10-27-29(20(15)25-12-26-21)14-6-4-3-5-7-14/h3-7,10,12H,8-9,11H2,1-2H3,(H2,24,31)(H,28,30)