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

Systemtic Name: ethyl 4-azanyl-2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-2-22-15(21)10-6-18-16(19-14(10)17)25-7-11(20)9-3-4-12-13(5-9)24-8-23-12/h3-6H,2,7-8H2,1H3,(H2,17,18,19)