N6-(azepan-1-yl)-N2-chloranyl-1-methoxy-N4-(1-methylpiperidin-4-yl)-2-phenyl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N6-(azepan-1-yl)-N2-chloranyl-1-methoxy-N4-(1-methylpiperidin-4-yl)-2-phenyl-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-(azepan-1-yl)-N2-chloro-1-methoxy-N4-(1-methyl-4-piperidyl)-2-phenyl-1,3,5-triazine-2,4,6-triamine CAS Name: N6-(1-azepanyl)-N2-chloro-1-methoxy-N4-(1-methyl-4-piperidinyl)-2-phenyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-(azepan-1-yl)-2-N-chloro-1-methoxy-4-N-(1-methylpiperidin-4-yl)-2-phenyl-1,3,5-triazine-2,4,6-triamine Traditional Name: azepan-1-yl-[6-(chloroamino)-1-methoxy-4-[(1-methyl-4-piperidyl)amino]-6-phenyl-s-triazin-2-yl]amine Formula: C22H35ClN8O MolecularWeight: 463.0193

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC(N(C(=N2)NN3CCCCCC3)OC)(C4=CC=CC=C4)NCl

Isomeric SMILES

CN1CCC(CC1)NC2=NC(N(C(=N2)NN3CCCCCC3)OC)(C4=CC=CC=C4)NCl

InChI

InChI=1S/C22H35ClN8O/c1-29-16-12-19(13-17-29)24-20-25-21(27-30-14-8-3-4-9-15-30)31(32-2)22(26-20,28-23)18-10-6-5-7-11-18/h5-7,10-11,19,28H,3-4,8-9,12-17H2,1-2H3,(H2,24,25,26,27)