2-tert-butyl-4,5-dimethyl-N'-(3-nitrophenyl)carbonyl-thieno[2,3-d]pyrimidine-6-carbohydrazide

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N'-(3-nitrophenyl)carbonyl-thieno[2,3-d]pyrimidine-6-carbohydrazide Openeye Name: 2-tert-butyl-4,5-dimethyl-N'-(3-nitrobenzoyl)thieno[2,3-d]pyrimidine-6-carbohydrazide CAS Name: 2-tert-butyl-4,5-dimethyl-N'-[(3-nitrophenyl)-oxomethyl]-6-thieno[2,3-d]pyrimidinecarbohydrazide IUPAC Name: 2-tert-butyl-4,5-dimethyl-N'-(3-nitrobenzoyl)thieno[2,3-d]pyrimidine-6-carbohydrazide Traditional Name: 2-tert-butyl-4,5-dimethyl-N'-(3-nitrobenzoyl)thieno[2,3-d]pyrimidine-6-carbohydrazide Formula: C20H21N5O4S MolecularWeight: 427.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S/c1-10-14-11(2)21-19(20(3,4)5)22-18(14)30-15(10)17(27)24-23-16(26)12-7-6-8-13(9-12)25(28)29/h6-9H,1-5H3,(H,23,26)(H,24,27)