1-(3-methylsulfanylphenyl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea CAS Name: 1-[3-(methylthio)phenyl]-3-[4-[[6-(1-pyrazolyl)-4-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-(3-methylsulfanylphenyl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-[3-(methylthio)phenyl]-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N4C=CC=N4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H19N7OS/c1-30-18-5-2-4-17(12-18)27-21(29)26-16-8-6-15(7-9-16)25-19-13-20(23-14-22-19)28-11-3-10-24-28/h2-14H,1H3,(H,22,23,25)(H2,26,27,29)