[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCCCCNC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCCCCNC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H30N4O3S/c1-38-30-33-26(22-12-5-2-6-13-22)21-27(34-30)32-24-16-11-17-25(20-24)37-28(35)18-9-4-10-19-31-29(36)23-14-7-3-8-15-23/h2-3,5-8,11-17,20-21H,4,9-10,18-19H2,1H3,(H,31,36)(H,32,33,34)