ethyl 3-[(5-chloranyl-2-oxidanylidene-3-phenyl-imidazol-4-ylidene)methylamino]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(5-chloranyl-2-oxidanylidene-3-phenyl-imidazol-4-ylidene)methylamino]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(5-chloro-2-oxo-3-phenyl-imidazol-4-ylidene)methylamino]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(5-chloro-2-oxo-3-phenyl-4-imidazolylidene)methylamino]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-chloro-2-oxo-3-phenylimidazol-4-ylidene)methylamino]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(5-chloro-2-keto-3-phenyl-3-imidazolin-4-ylidene)methylamino]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H16ClN5O4S MolecularWeight: 457.89014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)NC=C3C(=NC(=O)N3C4=CC=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)NC=C3C(=NC(=O)N3C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C20H16ClN5O4S/c1-3-30-19(28)15-11(2)14-17(31-15)22-10-25(18(14)27)23-9-13-16(21)24-20(29)26(13)12-7-5-4-6-8-12/h4-10,23H,3H2,1-2H3