ethyl 4-[[3-(6-benzamidohexanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(6-benzamidohexanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(6-benzamidohexanoyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(6-benzamido-1-oxohexoxy)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-benzamidohexanoyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(6-benzamidohexanoyloxy)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O5S/c1-3-35-26(34)22-18-29-27(37-2)31-24(22)30-20-13-10-14-21(17-20)36-23(32)15-8-5-9-16-28-25(33)19-11-6-4-7-12-19/h4,6-7,10-14,17-18H,3,5,8-9,15-16H2,1-2H3,(H,28,33)(H,29,30,31)