2-[[4-(pyrimidin-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(pyrimidin-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(pyrimidin-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(5-pyrimidinylmethyl)-1,4-diazepan-1-yl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(pyrimidin-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(5-pyrimidylmethyl)-1,4-diazepan-1-yl]methyl]-1H-benzimidazole Formula: C18H22N6 MolecularWeight: 322.40748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC3=CC=CC=C3N2)CC4=CN=CN=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=NC3=CC=CC=C3N2)CC4=CN=CN=C4

InChI

InChI=1S/C18H22N6/c1-2-5-17-16(4-1)21-18(22-17)13-24-7-3-6-23(8-9-24)12-15-10-19-14-20-11-15/h1-2,4-5,10-11,14H,3,6-9,12-13H2,(H,21,22)