1-[(5-methylfuran-2-yl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine Openeye Name: 1-[(5-methyl-2-furyl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine CAS Name: 1-[(5-methyl-2-furanyl)methyl]-N-[1-[2-(2-pyrimidinylamino)ethyl]-4-azepanyl]-2-benzimidazolamine IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine Traditional Name: [1-[(5-methyl-2-furyl)methyl]benzimidazol-2-yl]-[1-[2-(2-pyrimidylamino)ethyl]azepan-4-yl]amine Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCNC5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(O1)CN2C3=CC=CC=C3N=C2NC4CCCN(CC4)CCNC5=NC=CC=N5

InChI

InChI=1S/C25H31N7O/c1-19-9-10-21(33-19)18-32-23-8-3-2-7-22(23)30-25(32)29-20-6-4-15-31(16-11-20)17-14-28-24-26-12-5-13-27-24/h2-3,5,7-10,12-13,20H,4,6,11,14-18H2,1H3,(H,29,30)(H,26,27,28)