ethyl 4-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N4O5S/c1-2-23-15(22)10-6-18-16(20-14(10)17)26-7-13(21)19-9-3-4-11-12(5-9)25-8-24-11/h3-6H,2,7-8H2,1H3,(H,19,21)(H2,17,18,20)