5-(2-azanylhexylamino)-3-[(3-methylphenyl)amino]pyrazine-2-carboxamide

Systemtic Name: 5-(2-azanylhexylamino)-3-[(3-methylphenyl)amino]pyrazine-2-carboxamide Openeye Name: 5-(2-aminohexylamino)-3-(3-methylanilino)pyrazine-2-carboxamide CAS Name: 5-(2-aminohexylamino)-3-(3-methylanilino)-2-pyrazinecarboxamide IUPAC Name: 5-(2-aminohexylamino)-3-(3-methylanilino)pyrazine-2-carboxamide Traditional Name: 5-(2-aminohexylamino)-3-(m-toluidino)pyrazinamide Formula: C18H26N6O MolecularWeight: 342.43864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=CN=C(C(=N1)NC2=CC=CC(=C2)C)C(=O)N)N

Isomeric SMILES

CCCCC(CNC1=CN=C(C(=N1)NC2=CC=CC(=C2)C)C(=O)N)N

InChI

InChI=1S/C18H26N6O/c1-3-4-7-13(19)10-21-15-11-22-16(17(20)25)18(24-15)23-14-8-5-6-12(2)9-14/h5-6,8-9,11,13H,3-4,7,10,19H2,1-2H3,(H2,20,25)(H2,21,23,24)