ethyl 2-methylsulfanyl-4-[[3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoyloxy]anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]anilino]pyrimidine-5-carboxylate Traditional Name: 4-[3-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoyloxy]anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)NC(C)(C)C3=CC=CC(=C3)C(=C)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)NC(C)(C)C3=CC=CC(=C3)C(=C)C)SC

InChI

InChI=1S/C27H30N4O4S/c1-7-34-24(32)22-16-28-25(36-6)30-23(22)29-20-12-9-13-21(15-20)35-26(33)31-27(4,5)19-11-8-10-18(14-19)17(2)3/h8-16H,2,7H2,1,3-6H3,(H,31,33)(H,28,29,30)