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

Systemtic Name: 2-methoxyethyl 5-methyl-3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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-methoxyethyl ester Formula: C19H18N4O7S MolecularWeight: 446.43382

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O7S/c1-11-15-17(31-16(11)19(26)30-7-6-29-2)20-10-22(18(15)25)9-14(24)21-12-4-3-5-13(8-12)23(27)28/h3-5,8,10H,6-7,9H2,1-2H3,(H,21,24)