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

Systemtic Name: 6-azanyl-3-methyl-1-(phenylmethyl)-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1-benzyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1-benzyl-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-methyl-pyrimidine-2,4-quinone Formula: C23H28N5O4S+ MolecularWeight: 470.56452

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H27N5O4S/c1-25-22(29)20(21(24)28(23(25)30)16-18-8-4-2-5-9-18)17-26-12-14-27(15-13-26)33(31,32)19-10-6-3-7-11-19/h2-11H,12-17,24H2,1H3/p+1