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

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-4-nitro-benzenesulfonamide Formula: C14H17N5O5S MolecularWeight: 367.38028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O5S/c1-9-12(13(20)18-14(15)17-9)3-2-8-16-25(23,24)11-6-4-10(5-7-11)19(21)22/h4-7,16H,2-3,8H2,1H3,(H3,15,17,18,20)