3-(4-tert-butyl-2-sulfanyl-1,2-dihydropyrimidin-6-yl)-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-(4-tert-butyl-2-sulfanyl-1,2-dihydropyrimidin-6-yl)-N-(2-nitrophenyl)propanamide Openeye Name: 3-(4-tert-butyl-2-sulfanyl-1,2-dihydropyrimidin-6-yl)-N-(2-nitrophenyl)propanamide CAS Name: 3-(4-tert-butyl-2-mercapto-1,2-dihydropyrimidin-6-yl)-N-(2-nitrophenyl)propanamide IUPAC Name: 3-(4-tert-butyl-2-sulfanyl-1,2-dihydropyrimidin-6-yl)-N-(2-nitrophenyl)propanamide Traditional Name: 3-(4-tert-butyl-2-mercapto-1,2-dihydropyrimidin-6-yl)-N-(2-nitrophenyl)propionamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(NC(=C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])S

Isomeric SMILES

CC(C)(C)C1=NC(NC(=C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])S

InChI

InChI=1S/C17H22N4O3S/c1-17(2,3)14-10-11(18-16(25)20-14)8-9-15(22)19-12-6-4-5-7-13(12)21(23)24/h4-7,10,16,18,25H,8-9H2,1-3H3,(H,19,22)