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

Systemtic Name: 6-oxidanylidene-2-[[4-(sulfinoamino)phenyl]methylamino]-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-oxo-2-[[4-(sulfinoamino)phenyl]methylamino]-1H-pyrimidine-5-carboxylic acid CAS Name: 6-oxo-2-[[4-(sulfinoamino)phenyl]methylamino]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-oxo-2-[[4-(sulfinoamino)phenyl]methylamino]-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-keto-2-[[4-(sulfinoamino)benzyl]amino]-1H-pyrimidine-5-carboxylic acid Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C(=O)N2)C(=O)O)NS(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C(=O)N2)C(=O)O)NS(=O)O

InChI

InChI=1S/C12H12N4O5S/c17-10-9(11(18)19)6-14-12(15-10)13-5-7-1-3-8(4-2-7)16-22(20)21/h1-4,6,16H,5H2,(H,18,19)(H,20,21)(H2,13,14,15,17)