4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-piperidin-4-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-piperidin-4-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-(4-piperidyl)-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[[2-[(4-chlorophenyl)thio]phenyl]methyl]-N-(4-piperidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-piperidin-4-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[2-[(4-chlorophenyl)thio]benzyl]-4H-pyrimidin-2-yl]-(4-piperidyl)amine Formula: C28H36ClN5S MolecularWeight: 510.13694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2C=CN=C(N2CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)NC5CCNCC5

Isomeric SMILES

C1CCCN(CC1)C2C=CN=C(N2CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)NC5CCNCC5

InChI

InChI=1S/C28H36ClN5S/c29-23-9-11-25(12-10-23)35-26-8-4-3-7-22(26)21-34-27(33-19-5-1-2-6-20-33)15-18-31-28(34)32-24-13-16-30-17-14-24/h3-4,7-12,15,18,24,27,30H,1-2,5-6,13-14,16-17,19-21H2,(H,31,32)