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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-propylcarbamate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-propylcarbamate CAS Name: N-propylcarbamic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] N-propylcarbamate Traditional Name: N-propylcarbamic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CCCNC(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H22N4O2S/c1-3-12-22-21(26)27-17-11-7-10-16(13-17)23-19-14-18(24-20(25-19)28-2)15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,22,26)(H,23,24,25)