1,3-bis(4-azanyl-2-methyl-quinolin-6-yl)urea trihydrate dihydrochloride

Systemtic Name: 1,3-bis(4-azanyl-2-methyl-quinolin-6-yl)urea trihydrate dihydrochloride Openeye Name: 1,3-bis(4-amino-2-methyl-6-quinolyl)urea trihydrate dihydrochloride CAS Name: 1,3-bis(4-amino-2-methyl-6-quinolinyl)urea trihydrate dihydrochloride IUPAC Name: 1,3-bis(4-amino-2-methylquinolin-6-yl)urea trihydrate dihydrochloride Traditional Name: 1,3-bis(4-amino-2-methyl-6-quinolyl)urea trihydrate dihydrochloride Formula: C21H28Cl2N6O4 MolecularWeight: 499.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)N=C(C=C4N)C)C(=C1)N.O.O.O.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)N=C(C=C4N)C)C(=C1)N.O.O.O.Cl.Cl

InChI

InChI=1S/C21H20N6O.2ClH.3H2O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;;;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H;3*1H2