[(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[[6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-4-oxidanylidene-butyl]phosphonic acid

Systemtic Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[[6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-4-oxidanylidene-butyl]phosphonic acid Openeye Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[[6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidine-4-carbonyl]amino]-4-oxo-butyl]phosphonic acid CAS Name: [(3S)-4-[4-[butoxy(oxo)methyl]-1-piperazinyl]-3-[[[6-(4-methyl-1-piperazinyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-4-oxobutyl]phosphonic acid IUPAC Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]-4-oxobutyl]phosphonic acid Traditional Name: [(3S)-4-(4-butoxycarbonylpiperazino)-4-keto-3-[[6-(4-methylpiperazino)-2-phenyl-pyrimidine-4-carbonyl]amino]butyl]phosphonic acid Formula: C29H42N7O7P MolecularWeight: 631.660241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C(=O)C(CCP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C

InChI

InChI=1S/C29H42N7O7P/c1-3-4-19-43-29(39)36-17-15-35(16-18-36)28(38)23(10-20-44(40,41)42)31-27(37)24-21-25(34-13-11-33(2)12-14-34)32-26(30-24)22-8-6-5-7-9-22/h5-9,21,23H,3-4,10-20H2,1-2H3,(H,31,37)(H2,40,41,42)/t23-/m0/s1