[3-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]phenyl]methyl-triphenyl-phosphanium

Systemtic Name: [3-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]phenyl]methyl-triphenyl-phosphanium Openeye Name: [3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)carbamoylamino]phenyl]methyl-triphenyl-phosphonium CAS Name: [3-[[[(6-butyl-4-oxo-1H-pyrimidin-2-yl)amino]-oxomethyl]amino]phenyl]methyl-triphenylphosphonium IUPAC Name: [3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)carbamoylamino]phenyl]methyl-triphenylphosphanium Traditional Name: [3-[(6-butyl-4-keto-1H-pyrimidin-2-yl)carbamoylamino]benzyl]-triphenyl-phosphonium Formula: C34H34N4O2P+ MolecularWeight: 561.633121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)NC(=O)NC2=CC=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)NC(=O)NC2=CC=CC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H33N4O2P/c1-2-3-15-28-24-32(39)37-33(35-28)38-34(40)36-27-16-13-14-26(23-27)25-41(29-17-7-4-8-18-29,30-19-9-5-10-20-30)31-21-11-6-12-22-31/h4-14,16-24H,2-3,15,25H2,1H3,(H2-,35,36,37,38,39,40)/p+1