ethyl 4-azanyl-2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C(=O)OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C(=N3)N)C(=O)OCC)O

InChI

InChI=1S/C19H19N3O5S/c1-3-10-5-12-11(6-16(24)27-15(12)7-14(10)23)9-28-19-21-8-13(17(20)22-19)18(25)26-4-2/h5-8,23H,3-4,9H2,1-2H3,(H2,20,21,22)