1-[(2R,5S)-4-azido-5-[1-oxidanyl-2-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,5S)-4-azido-5-[1-oxidanyl-2-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,5S)-4-azido-5-[1-hydroxy-2-oxo-3-(4-phenylpiperazin-1-yl)propyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,5S)-4-azido-5-[1-hydroxy-2-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,5S)-4-azido-5-[1-hydroxy-2-oxo-3-(4-phenylpiperazin-1-yl)propyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,5S)-4-azido-5-[1-hydroxy-2-keto-3-(4-phenylpiperazino)propyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C22H27N7O5 MolecularWeight: 469.49368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(C(=O)CN3CCN(CC3)C4=CC=CC=C4)O)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)C(C(=O)CN3CCN(CC3)C4=CC=CC=C4)O)N=[N+]=[N-]

InChI

InChI=1S/C22H27N7O5/c1-14-12-29(22(33)24-21(14)32)18-11-16(25-26-23)20(34-18)19(31)17(30)13-27-7-9-28(10-8-27)15-5-3-2-4-6-15/h2-6,12,16,18-20,31H,7-11,13H2,1H3,(H,24,32,33)/t16?,18-,19?,20+/m1/s1