N2-(5-chloranyl-2-methyl-phenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(5-chloranyl-2-methyl-phenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(5-chloro-2-methyl-phenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(5-chloro-2-methylphenyl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(5-chloro-2-methylphenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-phenylpiperazino)methyl]-s-triazin-2-yl]-(5-chloro-2-methyl-phenyl)amine Formula: C21H24ClN7 MolecularWeight: 409.91516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN7/c1-15-7-8-16(22)13-18(15)24-21-26-19(25-20(23)27-21)14-28-9-11-29(12-10-28)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H3,23,24,25,26,27)