ethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-3-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C3CCC4=CC=CC=C4NC3=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C3CCC4=CC=CC=C4NC3=O)C

InChI

InChI=1S/C20H19N3O4S/c1-3-27-20(26)16-11(2)15-18(28-16)21-10-23(19(15)25)14-9-8-12-6-4-5-7-13(12)22-17(14)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,22,24)