N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-4-methyl-N-(3-nitrobenzyl)benzenesulfonamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=C(NC(=NC2=O)N)C)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=C(NC(=NC2=O)N)C)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-15-8-10-19(11-9-15)33(31,32)26(14-17-5-3-6-18(13-17)27(29)30)12-4-7-20-16(2)24-22(23)25-21(20)28/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H3,23,24,25,28)