2-[(3S)-1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]piperidin-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]piperidin-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-[5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]-3-piperidyl]-1H-benzimidazole CAS Name: 2-[(3S)-1-[5-(5-methyl-2-furanyl)-1,2,4-triazin-3-yl]-3-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]piperidin-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-[5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]-3-piperidyl]-1H-benzimidazole Formula: C20H20N6O MolecularWeight: 360.4124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CN=NC(=N2)N3CCCC(C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(O1)C2=CN=NC(=N2)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C20H20N6O/c1-13-8-9-18(27-13)17-11-21-25-20(24-17)26-10-4-5-14(12-26)19-22-15-6-2-3-7-16(15)23-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,23)/t14-/m0/s1