ethyl 4-azanyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C18H17N3O5S/c1-3-25-17(24)12-7-20-18(21-16(12)19)27-8-10-6-14(23)26-15-9(2)13(22)5-4-11(10)15/h4-7,22H,3,8H2,1-2H3,(H2,19,20,21)