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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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