6-[[(2-bromanyl-3,4,5-trimethoxy-phenyl)amino]methyl]-5-chloranyl-quinazoline-2,4-diamine

Systemtic Name: 6-[[(2-bromanyl-3,4,5-trimethoxy-phenyl)amino]methyl]-5-chloranyl-quinazoline-2,4-diamine Openeye Name: 6-[(2-bromo-3,4,5-trimethoxy-anilino)methyl]-5-chloro-quinazoline-2,4-diamine CAS Name: 6-[(2-bromo-3,4,5-trimethoxyanilino)methyl]-5-chloroquinazoline-2,4-diamine IUPAC Name: 6-[(2-bromo-3,4,5-trimethoxyanilino)methyl]-5-chloroquinazoline-2,4-diamine Traditional Name: (2-bromo-3,4,5-trimethoxy-phenyl)-[(2,4-diamino-5-chloro-quinazolin-6-yl)methyl]amine Formula: C18H19BrClN5O3 MolecularWeight: 468.73216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)Br)OC)OC

InChI

InChI=1S/C18H19BrClN5O3/c1-26-11-6-10(13(19)16(28-3)15(11)27-2)23-7-8-4-5-9-12(14(8)20)17(21)25-18(22)24-9/h4-6,23H,7H2,1-3H3,(H4,21,22,24,25)