6-[[(6-chloranylnaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine; ethanoic acid

Systemtic Name: 6-[[(6-chloranylnaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 6-[[(6-chloro-2-naphthyl)amino]methyl]quinazoline-2,4-diamine CAS Name: acetic acid; 6-[[(6-chloro-2-naphthalenyl)amino]methyl]quinazoline-2,4-diamine IUPAC Name: acetic acid; 6-[[(6-chloronaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine Traditional Name: acetic acid; (6-chloro-2-naphthyl)-[(2,4-diaminoquinazolin-6-yl)methyl]amine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=C(C=C1CNC3=CC4=C(C=C3)C=C(C=C4)Cl)C(=NC(=N2)N)N

Isomeric SMILES

CC(=O)O.C1=CC2=C(C=C1CNC3=CC4=C(C=C3)C=C(C=C4)Cl)C(=NC(=N2)N)N

InChI

InChI=1S/C19H16ClN5.C2H4O2/c20-14-4-2-13-9-15(5-3-12(13)8-14)23-10-11-1-6-17-16(7-11)18(21)25-19(22)24-17;1-2(3)4/h1-9,23H,10H2,(H4,21,22,24,25);1H3,(H,3,4)