4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[2-methyl-6-(1-pyrazolyl)-4-pyrimidinyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C20H23N7OS MolecularWeight: 409.50792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC)N4C=CC=N4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC)N4C=CC=N4

InChI

InChI=1S/C20H23N7OS/c1-15-22-18(14-19(23-15)27-8-4-7-21-27)25-9-11-26(12-10-25)20(28)24-16-5-3-6-17(13-16)29-2/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)