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

Systemtic Name: N2-(2-methylphenyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(o-tolyl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(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]-(o-tolyl)amine Formula: C21H25N7 MolecularWeight: 375.4701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N7/c1-16-7-5-6-10-18(16)23-21-25-19(24-20(22)26-21)15-27-11-13-28(14-12-27)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H3,22,23,24,25,26)