methyl 4-[2-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(indan-4-ylamino)-5-methyl-pyrimidin-4-yl]-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-[2-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2,3-dihydro-1H-inden-4-ylamino)-5-methylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-[2-(indan-4-ylamino)-5-methyl-pyrimidin-4-yl]-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=CC=CC5=C4CCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=CC=CC5=C4CCC5

InChI

InChI=1S/C27H26N4O4S/c1-17-10-12-21(13-11-17)36(33,34)31-16-20(14-24(31)26(32)35-3)25-18(2)15-28-27(30-25)29-23-9-5-7-19-6-4-8-22(19)23/h5,7,9-16H,4,6,8H2,1-3H3,(H,28,29,30)