[4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [4-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [4-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C27H26N4O6S MolecularWeight: 534.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC(=NC=C4C(=O)OCC)SC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC(=NC=C4C(=O)OCC)SC

InChI

InChI=1S/C27H26N4O6S/c1-4-6-13-31-23(32)19-12-7-16(14-20(19)24(31)33)25(34)37-18-10-8-17(9-11-18)29-22-21(26(35)36-5-2)15-28-27(30-22)38-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,28,29,30)