2-chloranyl-4-(cyclopropylamino)-3-(3-ethoxy-3-oxidanylidene-propyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-chloranyl-4-(cyclopropylamino)-3-(3-ethoxy-3-oxidanylidene-propyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-chloro-4-(cyclopropylamino)-3-(3-ethoxy-3-oxo-propyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-chloro-4-(cyclopropylamino)-3-(3-ethoxy-3-oxopropyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-chloro-4-(cyclopropylamino)-3-(3-ethoxy-3-oxopropyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-chloro-4-(cyclopropylamino)-3-(3-ethoxy-3-keto-propyl)-4H-pyrimidine-5-carboxylic acid Formula: C13H18ClN3O4 MolecularWeight: 315.75272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(C(=CN=C1Cl)C(=O)O)NC2CC2

Isomeric SMILES

CCOC(=O)CCN1C(C(=CN=C1Cl)C(=O)O)NC2CC2

InChI

InChI=1S/C13H18ClN3O4/c1-2-21-10(18)5-6-17-11(16-8-3-4-8)9(12(19)20)7-15-13(17)14/h7-8,11,16H,2-6H2,1H3,(H,19,20)