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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC2=C(N=C(N(C2=O)CC3=CC(=CC=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC2=C(N=C(N(C2=O)CC3=CC(=CC=C3)[N+](=O)[O-])N)C

InChI

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