ethyl 4-azanyl-5-azanylidene-6-(2-ethoxy-2-oxidanylidene-ethyl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-azanylidene-6-(2-ethoxy-2-oxidanylidene-ethyl)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-6-(2-ethoxy-2-oxo-ethyl)-5-imino-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-6-(2-ethoxy-2-oxoethyl)-5-imino-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-(2-ethoxy-2-oxoethyl)-5-imino-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-6-(2-ethoxy-2-keto-ethyl)-5-imino-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C(=N)C2=C(N=C(N=C2S1)C3=CC=CC=C3)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1(C(=N)C2=C(N=C(N=C2S1)C3=CC=CC=C3)N)C(=O)OCC

InChI

InChI=1S/C19H20N4O4S/c1-3-26-12(24)10-19(18(25)27-4-2)14(20)13-15(21)22-16(23-17(13)28-19)11-8-6-5-7-9-11/h5-9,20H,3-4,10H2,1-2H3,(H2,21,22,23)