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

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-N-(2-hydroxy-5-nitro-benzyl)-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H22N4O4S/c1-10-15-11(2)22-19(20(3,4)5)23-18(15)29-16(10)17(26)21-9-12-8-13(24(27)28)6-7-14(12)25/h6-8,25H,9H2,1-5H3,(H,21,26)