ethyl 2,5-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 3-benzyl-2,5-dimethyl-4-oxo-thieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3-(phenylmethyl)-7-thieno[3,4-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2,5-dimethyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 3-benzyl-4-keto-2,5-dimethyl-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-4-23-18(22)16-15-14(11(2)24-16)17(21)20(12(3)19-15)10-13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3