6-[[(3-bromophenyl)amino]methyl]quinazoline-2,4-diamine; (E)-ethene-1,2-diol

Systemtic Name: 6-[[(3-bromophenyl)amino]methyl]quinazoline-2,4-diamine; (E)-ethene-1,2-diol Openeye Name: 6-[(3-bromoanilino)methyl]quinazoline-2,4-diamine; (E)-ethene-1,2-diol CAS Name: 6-[(3-bromoanilino)methyl]quinazoline-2,4-diamine; (E)-ethene-1,2-diol IUPAC Name: 6-[(3-bromoanilino)methyl]quinazoline-2,4-diamine; (E)-ethene-1,2-diol Traditional Name: (3-bromophenyl)-[(2,4-diaminoquinazolin-6-yl)methyl]amine; (E)-ethene-1,2-diol Formula: C17H18BrN5O2 MolecularWeight: 404.26112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NCC2=CC3=C(C=C2)N=C(N=C3N)N.C(=CO)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NCC2=CC3=C(C=C2)N=C(N=C3N)N.C(=C/O)\O

InChI

InChI=1S/C15H14BrN5.C2H4O2/c16-10-2-1-3-11(7-10)19-8-9-4-5-13-12(6-9)14(17)21-15(18)20-13;3-1-2-4/h1-7,19H,8H2,(H4,17,18,20,21);1-4H/b;2-1+