7-(2-chlorophenyl)-2-methyl-5H-pyrimido[5,4-d][2]benzazepine; methanesulfonic acid

Systemtic Name: 7-(2-chlorophenyl)-2-methyl-5H-pyrimido[5,4-d][2]benzazepine; methanesulfonic acid Openeye Name: 7-(2-chlorophenyl)-2-methyl-5H-pyrimido[5,4-d][2]benzazepine; methanesulfonic acid CAS Name: 7-(2-chlorophenyl)-2-methyl-5H-pyrimido[5,4-d][2]benzazepine; methanesulfonic acid IUPAC Name: 7-(2-chlorophenyl)-2-methyl-5H-pyrimido[5,4-d][2]benzazepine; methanesulfonic acid Traditional Name: 7-(2-chlorophenyl)-2-methyl-5H-pyrimido[5,4-d][2]benzazepine; mesylic acid Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2CN=C(C3=CC=CC=C3C2=N1)C4=CC=CC=C4Cl.CS(=O)(=O)O

Isomeric SMILES

CC1=NC=C2CN=C(C3=CC=CC=C3C2=N1)C4=CC=CC=C4Cl.CS(=O)(=O)O

InChI

InChI=1S/C19H14ClN3.CH4O3S/c1-12-21-10-13-11-22-19(16-8-4-5-9-17(16)20)15-7-3-2-6-14(15)18(13)23-12;1-5(2,3)4/h2-10H,11H2,1H3;1H3,(H,2,3,4)