2-imidazol-1-yl-N-(phenylmethyl)quinazolin-4-amine; methanesulfonic acid

Systemtic Name: 2-imidazol-1-yl-N-(phenylmethyl)quinazolin-4-amine; methanesulfonic acid Openeye Name: N-benzyl-2-imidazol-1-yl-quinazolin-4-amine; methanesulfonic acid CAS Name: 2-(1-imidazolyl)-N-(phenylmethyl)-4-quinazolinamine; methanesulfonic acid IUPAC Name: N-benzyl-2-imidazol-1-ylquinazolin-4-amine; methanesulfonic acid Traditional Name: benzyl-(2-imidazol-1-ylquinazolin-4-yl)amine; mesylic acid Formula: C20H23N5O6S2 MolecularWeight: 493.55652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)N4C=CN=C4

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)N4C=CN=C4

InChI

InChI=1S/C18H15N5.2CH4O3S/c1-2-6-14(7-3-1)12-20-17-15-8-4-5-9-16(15)21-18(22-17)23-11-10-19-13-23;2*1-5(2,3)4/h1-11,13H,12H2,(H,20,21,22);2*1H3,(H,2,3,4)