6-[[(3-bromophenyl)amino]methyl]-5-chloranyl-quinazoline-2,4-diamine; ethanoic acid

Systemtic Name: 6-[[(3-bromophenyl)amino]methyl]-5-chloranyl-quinazoline-2,4-diamine; ethanoic acid Openeye Name: acetic acid; 6-[(3-bromoanilino)methyl]-5-chloro-quinazoline-2,4-diamine CAS Name: acetic acid; 6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine IUPAC Name: acetic acid; 6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine Traditional Name: acetic acid; (3-bromophenyl)-[(2,4-diamino-5-chloro-quinazolin-6-yl)methyl]amine Formula: C17H17BrClN5O2 MolecularWeight: 438.70618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC(=C1)Br)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

Isomeric SMILES

CC(=O)O.C1=CC(=CC(=C1)Br)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

InChI

InChI=1S/C15H13BrClN5.C2H4O2/c16-9-2-1-3-10(6-9)20-7-8-4-5-11-12(13(8)17)14(18)22-15(19)21-11;1-2(3)4/h1-6,20H,7H2,(H4,18,19,21,22);1H3,(H,3,4)