6-[[(3-bromophenyl)amino]methyl]-5-methyl-quinazoline-2,4-diamine; (E)-ethene-1,2-diol

Systemtic Name: 6-[[(3-bromophenyl)amino]methyl]-5-methyl-quinazoline-2,4-diamine; (E)-ethene-1,2-diol Openeye Name: 6-[(3-bromoanilino)methyl]-5-methyl-quinazoline-2,4-diamine; (E)-ethene-1,2-diol CAS Name: 6-[(3-bromoanilino)methyl]-5-methylquinazoline-2,4-diamine; (E)-ethene-1,2-diol IUPAC Name: 6-[(3-bromoanilino)methyl]-5-methylquinazoline-2,4-diamine; (E)-ethene-1,2-diol Traditional Name: (3-bromophenyl)-[(2,4-diamino-5-methyl-quinazolin-6-yl)methyl]amine; (E)-ethene-1,2-diol Formula: C18H20BrN5O2 MolecularWeight: 418.2877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=CC=C3)Br.C(=CO)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=CC=C3)Br.C(=C/O)\O

InChI

InChI=1S/C16H16BrN5.C2H4O2/c1-9-10(8-20-12-4-2-3-11(17)7-12)5-6-13-14(9)15(18)22-16(19)21-13;3-1-2-4/h2-7,20H,8H2,1H3,(H4,18,19,21,22);1-4H/b;2-1+