3-[5-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[5-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[5-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[5-methyl-6-[[(1S)-1-phenylethyl]amino]-2-pyrazinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[5-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[5-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Formula: C21H18N6 MolecularWeight: 354.40782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1NC(C)C2=CC=CC=C2)N3C=NC4=C3C=C(C=C4)C#N

Isomeric SMILES

CC1=NC=C(N=C1N[C@@H](C)C2=CC=CC=C2)N3C=NC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C21H18N6/c1-14(17-6-4-3-5-7-17)25-21-15(2)23-12-20(26-21)27-13-24-18-9-8-16(11-22)10-19(18)27/h3-10,12-14H,1-2H3,(H,25,26)/t14-/m0/s1