3RO
5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Find entries where: 3RO
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
Identifiers | 5-[2-(3-chlorophenyl)ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid |
Formula | C13 H11 Cl N2 O4 |
Molecular Weight | 294.69 |
Type | NON-POLYMER |
Isomeric SMILES | c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O |
InChI | InChI=1S/C13H11ClN2O4/c14-8-3-1-2-7(6-8)4-5-9-10(12(18)19)15-13(20)16-11(9)17/h1-3,6H,4-5H2,(H,18,19)(H2,15,16,17,20) |
InChIKey | QORUWPNKQKIBAJ-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 32 |
Aromatic Bond Count | 6 |
Related Resource References
Resource Name | Reference |
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PubChem | 71819700 |
ChEMBL | CHEMBL3990764 |