6-oxidanylidene-2-[4-[2-(phenylmethoxycarbonylamino)ethanoylamino]phenyl]-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-oxidanylidene-2-[4-[2-(phenylmethoxycarbonylamino)ethanoylamino]phenyl]-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[[2-(benzyloxycarbonylamino)acetyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-oxo-2-[4-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-oxo-2-[4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[[2-(benzyloxycarbonylamino)acetyl]amino]phenyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=CC=C(C=C2)C3=NC=C(C(=O)N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC2=CC=C(C=C2)C3=NC=C(C(=O)N3)C(=O)O

InChI

InChI=1S/C21H18N4O6/c26-17(11-23-21(30)31-12-13-4-2-1-3-5-13)24-15-8-6-14(7-9-15)18-22-10-16(20(28)29)19(27)25-18/h1-10H,11-12H2,(H,23,30)(H,24,26)(H,28,29)(H,22,25,27)