4-[[6-(4-methylphenyl)-2-(2-methylpropylsulfanyl)pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-[[6-(4-methylphenyl)-2-(2-methylpropylsulfanyl)pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[2-isobutylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]phenol CAS Name: 4-[[6-(4-methylphenyl)-2-(2-methylpropylthio)-4-pyrimidinyl]amino]phenol IUPAC Name: 4-[[6-(4-methylphenyl)-2-(2-methylpropylsulfanyl)pyrimidin-4-yl]amino]phenol Traditional Name: 4-[[2-(isobutylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]phenol Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(C)C)NC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(C)C)NC3=CC=C(C=C3)O

InChI

InChI=1S/C21H23N3OS/c1-14(2)13-26-21-23-19(16-6-4-15(3)5-7-16)12-20(24-21)22-17-8-10-18(25)11-9-17/h4-12,14,25H,13H2,1-3H3,(H,22,23,24)