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

Systemtic Name: 4-chloranyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-methylsulfanyl-6-piperidin-1-yl-pyrimidine Openeye Name: 4-chloro-5-[(4-isobutoxyphenyl)methyl]-2-methylsulfanyl-6-(1-piperidyl)pyrimidine CAS Name: 4-chloro-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-(methylthio)-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-chloro-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine Traditional Name: 4-chloro-5-(4-isobutoxybenzyl)-2-(methylthio)-6-piperidino-pyrimidine Formula: C21H28ClN3OS MolecularWeight: 405.98452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCCC3

InChI

InChI=1S/C21H28ClN3OS/c1-15(2)14-26-17-9-7-16(8-10-17)13-18-19(22)23-21(27-3)24-20(18)25-11-5-4-6-12-25/h7-10,15H,4-6,11-14H2,1-3H3