tert-butyl N-[[3-[[[4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[[[4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[[[4-[[3-[(tert-butoxycarbonylamino)methyl]phenyl]methylamino]-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]carbamate CAS Name: N-[[3-[[[4-[[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]methylamino]-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[[[4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]carbamate Traditional Name: N-[3-[[[4-(amylamino)-6-[[3-[(tert-butoxycarbonylamino)methyl]benzyl]amino]-s-triazin-2-yl]amino]methyl]benzyl]carbamic acid tert-butyl ester Formula: C34H50N8O4 MolecularWeight: 634.812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=N1)NCC2=CC(=CC=C2)CNC(=O)OC(C)(C)C)NCC3=CC(=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC1=NC(=NC(=N1)NCC2=CC(=CC=C2)CNC(=O)OC(C)(C)C)NCC3=CC(=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C34H50N8O4/c1-8-9-10-17-35-28-40-29(36-20-24-13-11-15-26(18-24)22-38-31(43)45-33(2,3)4)42-30(41-28)37-21-25-14-12-16-27(19-25)23-39-32(44)46-34(5,6)7/h11-16,18-19H,8-10,17,20-23H2,1-7H3,(H,38,43)(H,39,44)(H3,35,36,37,40,41,42)