N-[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6,7-dimethoxy-quinazolin-2-amine dihydrochloride

Systemtic Name: N-[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6,7-dimethoxy-quinazolin-2-amine dihydrochloride Openeye Name: N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-6,7-dimethoxy-quinazolin-2-amine dihydrochloride CAS Name: N-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]phenyl]-6,7-dimethoxy-2-quinazolinamine dihydrochloride IUPAC Name: N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-6,7-dimethoxyquinazolin-2-amine dihydrochloride Traditional Name: [3-chloro-4-[(1-methylimidazol-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:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC4=CC(=C(C=C4C=N3)OC)OC)Cl.Cl.Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC4=CC(=C(C=C4C=N3)OC)OC)Cl.Cl.Cl

InChI

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