ethyl 4-azanyl-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C17H15N3O5S/c1-2-24-16(23)12-7-19-17(20-15(12)18)26-8-9-5-14(22)25-13-6-10(21)3-4-11(9)13/h3-7,21H,2,8H2,1H3,(H2,18,19,20)