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

Systemtic Name: N2-(2-methylphenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(o-tolyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[2-(4-phenylpiperazino)ethyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C22H27N7 MolecularWeight: 389.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N7/c1-17-7-5-6-10-19(17)24-22-26-20(25-21(23)27-22)11-12-28-13-15-29(16-14-28)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H3,23,24,25,26,27)