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

Systemtic Name: 6-[[(3-bromophenyl)amino]methyl]-5-chloranyl-quinazoline-2,4-diamine; (E)-ethene-1,2-diol Openeye Name: 6-[(3-bromoanilino)methyl]-5-chloro-quinazoline-2,4-diamine; (E)-ethene-1,2-diol CAS Name: 6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine; (E)-ethene-1,2-diol IUPAC Name: 6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine; (E)-ethene-1,2-diol Traditional Name: (3-bromophenyl)-[(2,4-diamino-5-chloro-quinazolin-6-yl)methyl]amine; (E)-ethene-1,2-diol Formula: C17H17BrClN5O2 MolecularWeight: 438.70618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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;3-1-2-4/h1-6,20H,7H2,(H4,18,19,21,22);1-4H/b;2-1+