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

Systemtic Name: 4-chloranyl-2-methylsulfanyl-6-piperidin-1-yl-5-[(4-propoxyphenyl)methyl]pyrimidine Openeye Name: 4-chloro-2-methylsulfanyl-6-(1-piperidyl)-5-[(4-propoxyphenyl)methyl]pyrimidine CAS Name: 4-chloro-2-(methylthio)-6-(1-piperidinyl)-5-[(4-propoxyphenyl)methyl]pyrimidine IUPAC Name: 4-chloro-2-methylsulfanyl-6-piperidin-1-yl-5-[(4-propoxyphenyl)methyl]pyrimidine Traditional Name: 4-chloro-2-(methylthio)-6-piperidino-5-(4-propoxybenzyl)pyrimidine Formula: C20H26ClN3OS MolecularWeight: 391.95794

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)N3CCCCC3

InChI

InChI=1S/C20H26ClN3OS/c1-3-13-25-16-9-7-15(8-10-16)14-17-18(21)22-20(26-2)23-19(17)24-11-5-4-6-12-24/h7-10H,3-6,11-14H2,1-2H3