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

Systemtic Name: 6-azanyl-3-methyl-1-(phenylmethyl)-5-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]-1-benzyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(4-besylpiperazin-1-ium-1-yl)acetyl]-3-methyl-pyrimidine-2,4-quinone Formula: C24H28N5O5S+ MolecularWeight: 498.57462

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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

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

InChI

InChI=1S/C24H27N5O5S/c1-26-23(31)21(22(25)29(24(26)32)16-18-8-4-2-5-9-18)20(30)17-27-12-14-28(15-13-27)35(33,34)19-10-6-3-7-11-19/h2-11H,12-17,25H2,1H3/p+1