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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)CCCCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)CCCCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O3S/c1-18-17-22(29-25(27-18)33-2)28-20-12-14-21(15-13-20)32-23(30)11-7-4-8-16-26-24(31)19-9-5-3-6-10-19/h3,5-6,9-10,12-15,17H,4,7-8,11,16H2,1-2H3,(H,26,31)(H,27,28,29)