3-[2-(diethylamino)-2-oxidanylidene-ethyl]-5-methyl-N-(2-methyl-4-nitro-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3-[2-(diethylamino)-2-oxidanylidene-ethyl]-5-methyl-N-(2-methyl-4-nitro-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[2-(diethylamino)-2-oxo-ethyl]-5-methyl-N-(2-methyl-4-nitro-phenyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-N-(2-methyl-4-nitrophenyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-N-(2-methyl-4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-[2-(diethylamino)-2-keto-ethyl]-4-keto-5-methyl-N-(2-methyl-4-nitro-phenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCN(CC)C(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H23N5O5S/c1-5-24(6-2)16(27)10-25-11-22-20-17(21(25)29)13(4)18(32-20)19(28)23-15-8-7-14(26(30)31)9-12(15)3/h7-9,11H,5-6,10H2,1-4H3,(H,23,28)