4-[(2,5-dimethylphenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-6-piperidino-pyrimidine Formula: C18H23N3S MolecularWeight: 313.46032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C18H23N3S/c1-14-6-7-15(2)16(10-14)12-22-18-11-17(19-13-20-18)21-8-4-3-5-9-21/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3