2-imidazol-1-yl-6,7-dimethoxy-N-(phenylmethyl)quinazolin-4-amine; methanesulfonic acid

Systemtic Name: 2-imidazol-1-yl-6,7-dimethoxy-N-(phenylmethyl)quinazolin-4-amine; methanesulfonic acid Openeye Name: N-benzyl-2-imidazol-1-yl-6,7-dimethoxy-quinazolin-4-amine; methanesulfonic acid CAS Name: 2-(1-imidazolyl)-6,7-dimethoxy-N-(phenylmethyl)-4-quinazolinamine; methanesulfonic acid IUPAC Name: N-benzyl-2-imidazol-1-yl-6,7-dimethoxyquinazolin-4-amine; methanesulfonic acid Traditional Name: benzyl-(2-imidazol-1-yl-6,7-dimethoxy-quinazolin-4-yl)amine; mesylic acid Formula: C22H27N5O8S2 MolecularWeight: 553.60848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3C=CN=C3)NCC4=CC=CC=C4)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3C=CN=C3)NCC4=CC=CC=C4)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H19N5O2.2CH4O3S/c1-26-17-10-15-16(11-18(17)27-2)23-20(25-9-8-21-13-25)24-19(15)22-12-14-6-4-3-5-7-14;2*1-5(2,3)4/h3-11,13H,12H2,1-2H3,(H,22,23,24);2*1H3,(H,2,3,4)