2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]ethanone Formula: C29H36ClN5OS MolecularWeight: 538.14704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H36ClN5OS/c1-3-15-33(16-4-2)26-21-25(30)31-29(32-26)37-22-27(36)34-17-19-35(20-18-34)28(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21,28H,3-4,15-20,22H2,1-2H3