6-azanyl-3-methyl-5-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-5-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C24H27N6O7S+ MolecularWeight: 543.57218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O7S/c1-26-23(32)21(22(25)29(24(26)33)15-17-7-3-2-4-8-17)19(31)16-27-11-13-28(14-12-27)38(36,37)20-10-6-5-9-18(20)30(34)35/h2-10H,11-16,25H2,1H3/p+1