methyl 2,4-dimethoxy-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 2,4-dimethoxy-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 7-(benzenesulfonyl)-2,4-dimethoxy-pyrrolo[2,3-d]pyrimidine-5-carboxylate CAS Name: 7-(benzenesulfonyl)-2,4-dimethoxy-5-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 7-(benzenesulfonyl)-2,4-dimethoxypyrrolo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 7-besyl-2,4-dimethoxy-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1C(=CN2S(=O)(=O)C3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=NC(=NC2=C1C(=CN2S(=O)(=O)C3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C16H15N3O6S/c1-23-14-12-11(15(20)24-2)9-19(13(12)17-16(18-14)25-3)26(21,22)10-7-5-4-6-8-10/h4-9H,1-3H3