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

Systemtic Name: 6-[[(4-chlorophenyl)-ethyl-amino]methyl]quinazoline-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 6-[(4-chloro-N-ethyl-anilino)methyl]quinazoline-2,4-diamine CAS Name: acetic acid; 6-[(4-chloro-N-ethylanilino)methyl]quinazoline-2,4-diamine IUPAC Name: acetic acid; 6-[(4-chloro-N-ethylanilino)methyl]quinazoline-2,4-diamine Traditional Name: acetic acid; (4-chlorophenyl)-[(2,4-diaminoquinazolin-6-yl)methyl]-ethyl-amine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)Cl.CC(=O)O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)Cl.CC(=O)O

InChI

InChI=1S/C17H18ClN5.C2H4O2/c1-2-23(13-6-4-12(18)5-7-13)10-11-3-8-15-14(9-11)16(19)22-17(20)21-15;1-2(3)4/h3-9H,2,10H2,1H3,(H4,19,20,21,22);1H3,(H,3,4)