4-acetamidobenzoic acid; 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 4-acetamidobenzoic acid; 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 4-acetamidobenzoic acid; 1-[4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 4-acetamidobenzoic acid; 1-[4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 4-acetamidobenzoic acid; 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 4-acetamidobenzoic acid; 1-(4-azido-5-methylol-tetrahydrofuran-2-yl)-5-methyl-pyrimidine-2,4-quinone Formula: C19H22N6O7 MolecularWeight: 446.41398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-].CC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-].CC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H13N5O4.C9H9NO3/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;1-6(11)10-8-4-2-7(3-5-8)9(12)13/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);2-5H,1H3,(H,10,11)(H,12,13)