dimethyl-[[4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]quinazolin-2-yl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]quinazolin-2-yl]methyl]azanium Openeye Name: dimethyl-[[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]quinazolin-2-yl]methyl]ammonium CAS Name: dimethyl-[[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-quinazolinyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]quinazolin-2-yl]methyl]azanium Traditional Name: dimethyl-[[4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]quinazolin-2-yl]methyl]ammonium Formula: C25H24N5S+ MolecularWeight: 426.55656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=NC(=NC5=CC=CC=C54)C[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=NC(=NC5=CC=CC=C54)C[NH+](C)C

InChI

InChI=1S/C25H23N5S/c1-16-8-13-21-22(14-16)31-25(28-21)17-9-11-18(12-10-17)26-24-19-6-4-5-7-20(19)27-23(29-24)15-30(2)3/h4-14H,15H2,1-3H3,(H,26,27,29)/p+1