1-(4-oxidanylidene-6-tridecyl-1H-pyrimidin-2-yl)-3-[8-[(4-oxidanylidene-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]-4-[[(4-oxidanylidene-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]methyl]octyl]urea

Systemtic Name: 1-(4-oxidanylidene-6-tridecyl-1H-pyrimidin-2-yl)-3-[8-[(4-oxidanylidene-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]-4-[[(4-oxidanylidene-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]methyl]octyl]urea Openeye Name: 1-(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)-3-[8-[(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]-4-[[(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]methyl]octyl]urea CAS Name: 1-[8-[[oxo-[(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)amino]methyl]amino]-4-[[[oxo-[(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)amino]methyl]amino]methyl]octyl]-3-(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)urea IUPAC Name: 1-(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)-3-[8-[(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]-4-[[(4-oxo-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]methyl]octyl]urea Traditional Name: 1-(4-keto-6-tridecyl-1H-pyrimidin-2-yl)-3-[8-[(4-keto-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]-4-[[(4-keto-6-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]methyl]octyl]urea Formula: C63H110N12O6 MolecularWeight: 1131.6243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=O)N=C(N1)NC(=O)NCCCCC(CCCNC(=O)NC2=NC(=O)C=C(N2)CCCCCCCCCCCCC)CNC(=O)NC3=NC(=O)C=C(N3)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=O)N=C(N1)NC(=O)NCCCCC(CCCNC(=O)NC2=NC(=O)C=C(N2)CCCCCCCCCCCCC)CNC(=O)NC3=NC(=O)C=C(N3)CCCCCCCCCCCCC

InChI

InChI=1S/C63H110N12O6/c1-4-7-10-13-16-19-22-25-28-31-34-42-52-47-55(76)70-58(67-52)73-61(79)64-45-38-37-40-51(50-66-63(81)75-60-69-54(49-57(78)72-60)44-36-33-30-27-24-21-18-15-12-9-6-3)41-39-46-65-62(80)74-59-68-53(48-56(77)71-59)43-35-32-29-26-23-20-17-14-11-8-5-2/h47-49,51H,4-46,50H2,1-3H3,(H3,64,67,70,73,76,79)(H3,65,68,71,74,77,80)(H3,66,69,72,75,78,81)