N-[4-(1-chloranyl-5-methyl-imidazol-2-yl)sulfanylphenyl]-6,7-dimethoxy-quinazolin-2-amine dihydrochloride

Systemtic Name: N-[4-(1-chloranyl-5-methyl-imidazol-2-yl)sulfanylphenyl]-6,7-dimethoxy-quinazolin-2-amine dihydrochloride Openeye Name: N-[4-(1-chloro-5-methyl-imidazol-2-yl)sulfanylphenyl]-6,7-dimethoxy-quinazolin-2-amine dihydrochloride CAS Name: N-[4-[(1-chloro-5-methyl-2-imidazolyl)thio]phenyl]-6,7-dimethoxy-2-quinazolinamine dihydrochloride IUPAC Name: N-[4-(1-chloro-5-methylimidazol-2-yl)sulfanylphenyl]-6,7-dimethoxyquinazolin-2-amine dihydrochloride Traditional Name: [4-[(1-chloro-5-methyl-imidazol-2-yl)thio]phenyl]-(6,7-dimethoxyquinazolin-2-yl)amine dihydrochloride Formula: C20H20Cl3N5O2S MolecularWeight: 500.8291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1Cl)SC2=CC=C(C=C2)NC3=NC4=CC(=C(C=C4C=N3)OC)OC.Cl.Cl

Isomeric SMILES

CC1=CN=C(N1Cl)SC2=CC=C(C=C2)NC3=NC4=CC(=C(C=C4C=N3)OC)OC.Cl.Cl

InChI

InChI=1S/C20H18ClN5O2S.2ClH/c1-12-10-23-20(26(12)21)29-15-6-4-14(5-7-15)24-19-22-11-13-8-17(27-2)18(28-3)9-16(13)25-19;;/h4-11H,1-3H3,(H,22,24,25);2*1H