ethyl 4-azanyl-5-methyl-2-[(4-oxidanylidenechromen-2-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(4-oxidanylidenechromen-2-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(4-oxochromene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(4-oxochromene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(4-ketochromene-2-carbonyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC(=O)C4=CC=CC=C4O3)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC(=O)C4=CC=CC=C4O3)N)C

InChI

InChI=1S/C21H17N3O6S/c1-3-28-21(27)17-10(2)16-18(22)23-15(24-19(16)31-17)9-29-20(26)14-8-12(25)11-6-4-5-7-13(11)30-14/h4-8H,3,9H2,1-2H3,(H2,22,23,24)