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

Systemtic Name: 5-[[(4-chlorophenyl)amino]methyl]quinazoline-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 5-[(4-chloroanilino)methyl]quinazoline-2,4-diamine CAS Name: acetic acid; 5-[(4-chloroanilino)methyl]quinazoline-2,4-diamine IUPAC Name: acetic acid; 5-[(4-chloroanilino)methyl]quinazoline-2,4-diamine Traditional Name: acetic acid; (4-chlorophenyl)-[(2,4-diaminoquinazolin-5-yl)methyl]amine Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5.C2H4O2/c16-10-4-6-11(7-5-10)19-8-9-2-1-3-12-13(9)14(17)21-15(18)20-12;1-2(3)4/h1-7,19H,8H2,(H4,17,18,20,21);1H3,(H,3,4)