N-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-(1-methyl-4-methylsulfonyl-piperazin-2-yl)methyl]ethanamine

Systemtic Name: N-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-(1-methyl-4-methylsulfonyl-piperazin-2-yl)methyl]ethanamine Openeye Name: N-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-(1-methyl-4-methylsulfonyl-piperazin-2-yl)methyl]ethanamine CAS Name: N-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-(1-methyl-4-methylsulfonyl-2-piperazinyl)methyl]ethanamine IUPAC Name: N-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-(1-methyl-4-methylsulfonylpiperazin-2-yl)methyl]ethanamine Traditional Name: [[4-(benzimidazol-1-yl)pyrimidin-2-yl]-(4-mesyl-1-methyl-piperazin-2-yl)methyl]-ethyl-amine Formula: C20H27N7O2S MolecularWeight: 429.53908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(C1CN(CCN1C)S(=O)(=O)C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCNC(C1CN(CCN1C)S(=O)(=O)C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H27N7O2S/c1-4-21-19(17-13-26(30(3,28)29)12-11-25(17)2)20-22-10-9-18(24-20)27-14-23-15-7-5-6-8-16(15)27/h5-10,14,17,19,21H,4,11-13H2,1-3H3