5-[[(3,4-dichlorophenyl)amino]methyl]quinazoline-2,4-diamine; ethanoic acid

Systemtic Name: 5-[[(3,4-dichlorophenyl)amino]methyl]quinazoline-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 5-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine CAS Name: acetic acid; 5-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine IUPAC Name: acetic acid; 5-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine Traditional Name: acetic acid; (2,4-diaminoquinazolin-5-yl)methyl-(3,4-dichlorophenyl)amine Formula: C17H17Cl2N5O2 MolecularWeight: 394.25518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=C2C(=C1)N=C(N=C2N)N)CNC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)O.C1=CC(=C2C(=C1)N=C(N=C2N)N)CNC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H13Cl2N5.C2H4O2/c16-10-5-4-9(6-11(10)17)20-7-8-2-1-3-12-13(8)14(18)22-15(19)21-12;1-2(3)4/h1-6,20H,7H2,(H4,18,19,21,22);1H3,(H,3,4)