methanesulfonic acid; N-[3-(4-methylimidazol-1-yl)phenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine

Systemtic Name: methanesulfonic acid; N-[3-(4-methylimidazol-1-yl)phenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine Openeye Name: methanesulfonic acid; N-[3-(4-methylimidazol-1-yl)phenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine CAS Name: methanesulfonic acid; N-[3-(4-methyl-1-imidazolyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine IUPAC Name: methanesulfonic acid; N-[3-(4-methylimidazol-1-yl)phenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine Traditional Name: 5,6-dihydrobenzo[h]quinazolin-4-yl-[3-(4-methylimidazol-1-yl)phenyl]amine; mesylic acid Formula: C24H27N5O6S2 MolecularWeight: 545.63108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=CC(=CC=C2)NC3=NC=NC4=C3CCC5=CC=CC=C54.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=CN(C=N1)C2=CC(=CC=C2)NC3=NC=NC4=C3CCC5=CC=CC=C54.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C22H19N5.2CH4O3S/c1-15-12-27(14-25-15)18-7-4-6-17(11-18)26-22-20-10-9-16-5-2-3-8-19(16)21(20)23-13-24-22;2*1-5(2,3)4/h2-8,11-14H,9-10H2,1H3,(H,23,24,26);2*1H3,(H,2,3,4)