4-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[6-(1-imidazolyl)-4-pyrimidinyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C19H21N7OS MolecularWeight: 395.48134

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CN=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CN=C4

InChI

InChI=1S/C19H21N7OS/c1-28-16-4-2-3-15(11-16)23-19(27)25-9-7-24(8-10-25)17-12-18(22-13-21-17)26-6-5-20-14-26/h2-6,11-14H,7-10H2,1H3,(H,23,27)