O4-tert-butyl O1-(phenylmethyl) 2-methyl-2-[4-oxidanyl-6-oxidanylidene-5-(phenylcarbonyloxy)-1H-pyrimidin-2-yl]piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-methyl-2-[4-oxidanyl-6-oxidanylidene-5-(phenylcarbonyloxy)-1H-pyrimidin-2-yl]piperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-(5-benzoyloxy-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methyl-piperazine-1,4-dicarboxylate CAS Name: 2-(5-benzoyloxy-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpiperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-(5-benzoyloxy-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpiperazine-1,4-dicarboxylate Traditional Name: 2-(5-benzoyloxy-4-hydroxy-6-keto-1H-pyrimidin-2-yl)-2-methyl-piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C29H32N4O8 MolecularWeight: 564.58638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C3=NC(=C(C(=O)N3)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1(CN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)C3=NC(=C(C(=O)N3)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C29H32N4O8/c1-28(2,3)41-26(37)32-15-16-33(27(38)39-17-19-11-7-5-8-12-19)29(4,18-32)25-30-22(34)21(23(35)31-25)40-24(36)20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3,(H2,30,31,34,35)