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

Systemtic Name: ethyl 4-azanyl-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-3-24-17(23)13-8-20-18(21-16(13)19)26-9-11-7-15(22)25-14-6-10(2)4-5-12(11)14/h4-8H,3,9H2,1-2H3,(H2,19,20,21)