5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[2-(4-anilinoanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-anilinoanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-[2-(4-anilinoanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-anilinoanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C22H17N4O4S- MolecularWeight: 433.45978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-13-18-20(31-19(13)22(29)30)23-12-26(21(18)28)11-17(27)25-16-9-7-15(8-10-16)24-14-5-3-2-4-6-14/h2-10,12,24H,11H2,1H3,(H,25,27)(H,29,30)/p-1