ethyl 2,4-dimethyl-5-[2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H23N5O3S/c1-5-31-23(30)19-13(2)20(25-14(19)3)18(29)12-32-22-17-11-24-28(16-9-7-6-8-10-16)21(17)26-15(4)27-22/h6-11,25H,5,12H2,1-4H3