6-[[(4-bromophenyl)-methyl-amino]methyl]quinazoline-2,4-diamine

Systemtic Name: 6-[[(4-bromophenyl)-methyl-amino]methyl]quinazoline-2,4-diamine Openeye Name: 6-[(4-bromo-N-methyl-anilino)methyl]quinazoline-2,4-diamine CAS Name: 6-[(4-bromo-N-methylanilino)methyl]quinazoline-2,4-diamine IUPAC Name: 6-[(4-bromo-N-methylanilino)methyl]quinazoline-2,4-diamine Traditional Name: (4-bromophenyl)-[(2,4-diaminoquinazolin-6-yl)methyl]-methyl-amine Formula: C16H16BrN5 MolecularWeight: 358.23574

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)Br

InChI

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