2-tert-butyl-4,5-dimethyl-N-(2-methyl-3-nitro-phenyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N-(2-methyl-3-nitro-phenyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-4,5-dimethyl-N-(2-methyl-3-nitro-phenyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-4,5-dimethyl-N-(2-methyl-3-nitrophenyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-4,5-dimethyl-N-(2-methyl-3-nitrophenyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-4,5-dimethyl-N-(2-methyl-3-nitro-phenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=C(N=C(N=C3S2)C(C)(C)C)C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=C(N=C(N=C3S2)C(C)(C)C)C)C

InChI

InChI=1S/C20H22N4O3S/c1-10-13(8-7-9-14(10)24(26)27)22-17(25)16-11(2)15-12(3)21-19(20(4,5)6)23-18(15)28-16/h7-9H,1-6H3,(H,22,25)