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

Systemtic Name: 2-phenoxyethyl 5-methyl-3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 5-methyl-3-[2-(4-nitroanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-nitroanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-methyl-3-[2-(4-nitroanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-nitroanilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C24H20N4O7S MolecularWeight: 508.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O7S/c1-15-20-22(36-21(15)24(31)35-12-11-34-18-5-3-2-4-6-18)25-14-27(23(20)30)13-19(29)26-16-7-9-17(10-8-16)28(32)33/h2-10,14H,11-13H2,1H3,(H,26,29)