N2-(2-methoxy-5-methyl-phenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methoxy-5-methyl-phenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-methoxy-5-methyl-phenyl)-6-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methoxy-5-methylphenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methoxy-5-methylphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2-pyridyl)piperazino]methyl]-s-triazin-2-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C21H26N8O MolecularWeight: 406.48414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H26N8O/c1-15-6-7-17(30-2)16(13-15)24-21-26-18(25-20(22)27-21)14-28-9-11-29(12-10-28)19-5-3-4-8-23-19/h3-8,13H,9-12,14H2,1-2H3,(H3,22,24,25,26,27)