methyl 2-(1,3-benzodioxol-5-ylamino)-5-chloranyl-pyrimidine-4-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylamino)-5-chloranyl-pyrimidine-4-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylamino)-5-chloro-pyrimidine-4-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylamino)-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-pyrimidine-4-carboxylic acid methyl ester Formula: C13H10ClN3O4 MolecularWeight: 307.6892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NC=C1Cl)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=NC(=NC=C1Cl)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H10ClN3O4/c1-19-12(18)11-8(14)5-15-13(17-11)16-7-2-3-9-10(4-7)21-6-20-9/h2-5H,6H2,1H3,(H,15,16,17)