4-chloranyl-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-methylsulfanyl-5-phenyl-pyrimidine

Systemtic Name: 4-chloranyl-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-methylsulfanyl-5-phenyl-pyrimidine Openeye Name: 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)-1-piperidyl]-2-methylsulfanyl-5-phenyl-pyrimidine CAS Name: 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)-1-piperidinyl]-2-(methylthio)-5-phenylpyrimidine IUPAC Name: 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-methylsulfanyl-5-phenylpyrimidine Traditional Name: 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidino]-2-(methylthio)-5-phenyl-pyrimidine Formula: C20H22ClN5S MolecularWeight: 399.94018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C2CCN(CC2)C3=C(C(=NC(=N3)SC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CN1)C2CCN(CC2)C3=C(C(=NC(=N3)SC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H22ClN5S/c1-13-17(23-12-22-13)15-8-10-26(11-9-15)19-16(14-6-4-3-5-7-14)18(21)24-20(25-19)27-2/h3-7,12,15H,8-11H2,1-2H3,(H,22,23)