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

Systemtic Name: 5-methyl-3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-3-[2-(3-nitroanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-3-[2-(3-nitroanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-3-[2-(3-nitroanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(3-nitroanilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C16H13N5O5S MolecularWeight: 387.36992

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O5S/c1-8-12-15(27-13(8)14(17)23)18-7-20(16(12)24)6-11(22)19-9-3-2-4-10(5-9)21(25)26/h2-5,7H,6H2,1H3,(H2,17,23)(H,19,22)