ethyl 4-azanyl-2-[2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methoxy]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C21H21N3O6S/c1-4-28-20(27)15-8-23-21(24-19(15)22)31-10-17(26)29-9-13-7-16(25)30-18-12(3)11(2)5-6-14(13)18/h5-8H,4,9-10H2,1-3H3,(H2,22,23,24)