[(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-3-oxidanylidene-2-[(2-phenyl-6-thiophen-3-yl-pyrimidin-4-yl)carbonylamino]propyl]phosphonic acid

Systemtic Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-3-oxidanylidene-2-[(2-phenyl-6-thiophen-3-yl-pyrimidin-4-yl)carbonylamino]propyl]phosphonic acid Openeye Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-3-oxo-2-[[2-phenyl-6-(3-thienyl)pyrimidine-4-carbonyl]amino]propyl]phosphonic acid CAS Name: [(2R)-3-[4-[butoxy(oxo)methyl]-1-piperazinyl]-3-oxo-2-[[oxo-[2-phenyl-6-(3-thiophenyl)-4-pyrimidinyl]methyl]amino]propyl]phosphonic acid IUPAC Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-3-oxo-2-[(2-phenyl-6-thiophen-3-ylpyrimidine-4-carbonyl)amino]propyl]phosphonic acid Traditional Name: [(2R)-3-(4-butoxycarbonylpiperazino)-3-keto-2-[[2-phenyl-6-(3-thienyl)pyrimidine-4-carbonyl]amino]propyl]phosphonic acid Formula: C27H32N5O7PS MolecularWeight: 601.611041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C(=O)C(CP(=O)(O)O)NC(=O)C2=NC(=NC(=C2)C3=CSC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(O)O)NC(=O)C2=NC(=NC(=C2)C3=CSC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N5O7PS/c1-2-3-14-39-27(35)32-12-10-31(11-13-32)26(34)23(17-40(36,37)38)30-25(33)22-16-21(20-9-15-41-18-20)28-24(29-22)19-7-5-4-6-8-19/h4-9,15-16,18,23H,2-3,10-14,17H2,1H3,(H,30,33)(H2,36,37,38)/t23-/m0/s1