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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCCC3

InChI

InChI=1S/C21H28ClN3OS/c1-3-4-14-26-17-10-8-16(9-11-17)15-18-19(22)23-21(27-2)24-20(18)25-12-6-5-7-13-25/h8-11H,3-7,12-15H2,1-2H3