(phenylmethyl) 4-[4-[4-[4-chloranyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-[4-[4-chloranyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-[4-[4-(4-tert-butoxycarbonylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-[4-[4-chloro-6-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1,3,5-triazin-2-yl]-1-piperazinyl]-6-(phenethylamino)-1,3,5-triazin-2-yl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-[4-[4-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-(phenethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[4-(4-tert-butoxycarbonylpiperazino)-6-chloro-s-triazin-2-yl]piperazino]-6-(phenethylamino)-s-triazin-2-yl]piperazine-1-carboxylic acid benzyl ester Formula: C39H50ClN13O4 MolecularWeight: 800.352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C4=NC(=NC(=N4)NCCC5=CC=CC=C5)N6CCN(CC6)C(=O)OCC7=CC=CC=C7)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3CCN(CC3)C4=NC(=NC(=N4)NCCC5=CC=CC=C5)N6CCN(CC6)C(=O)OCC7=CC=CC=C7)Cl

InChI

InChI=1S/C39H50ClN13O4/c1-39(2,3)57-38(55)53-26-22-49(23-27-53)34-43-31(40)42-33(46-34)48-16-18-50(19-17-48)35-44-32(41-15-14-29-10-6-4-7-11-29)45-36(47-35)51-20-24-52(25-21-51)37(54)56-28-30-12-8-5-9-13-30/h4-13H,14-28H2,1-3H3,(H,41,44,45,47)