5-[[(2-bromanyl-3,4,5-trimethoxy-phenyl)amino]methyl]quinazoline-2,4-diamine

Systemtic Name: 5-[[(2-bromanyl-3,4,5-trimethoxy-phenyl)amino]methyl]quinazoline-2,4-diamine Openeye Name: 5-[(2-bromo-3,4,5-trimethoxy-anilino)methyl]quinazoline-2,4-diamine CAS Name: 5-[(2-bromo-3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine IUPAC Name: 5-[(2-bromo-3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine Traditional Name: (2-bromo-3,4,5-trimethoxy-phenyl)-[(2,4-diaminoquinazolin-5-yl)methyl]amine Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)NCC2=C3C(=CC=C2)N=C(N=C3N)N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)NCC2=C3C(=CC=C2)N=C(N=C3N)N)Br)OC)OC

InChI

InChI=1S/C18H20BrN5O3/c1-25-12-7-11(14(19)16(27-3)15(12)26-2)22-8-9-5-4-6-10-13(9)17(20)24-18(21)23-10/h4-7,22H,8H2,1-3H3,(H4,20,21,23,24)