6-[[(4-aminophenyl)methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-amine trihydrochloride

Systemtic Name: 6-[[(4-aminophenyl)methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-amine trihydrochloride Openeye Name: 6-[[(4-aminophenyl)methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-amine trihydrochloride CAS Name: 6-[[(4-aminophenyl)methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-amine trihydrochloride IUPAC Name: 6-[[(4-aminophenyl)methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-amine trihydrochloride Traditional Name: (4-aminobenzyl)-[(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)methyl]amine trihydrochloride Formula: C17H23Cl3N4O MolecularWeight: 405.74972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)N)N.Cl.Cl.Cl

Isomeric SMILES

CC1=C(NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)N)N.Cl.Cl.Cl

InChI

InChI=1S/C17H20N4O.3ClH/c1-11-17(19)21-15-8-13(4-7-16(15)22-11)10-20-9-12-2-5-14(18)6-3-12;;;/h2-8,20-21H,9-10,18-19H2,1H3;3*1H