ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC3=C(C=C2)OCCO3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC3=C(C=C2)OCCO3)SC

InChI

InChI=1S/C17H18N4O5S/c1-3-24-15(22)11-9-18-17(27-2)21-14(11)20-16(23)19-10-4-5-12-13(8-10)26-7-6-25-12/h4-5,8-9H,3,6-7H2,1-2H3,(H2,18,19,20,21,23)