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

Systemtic Name: 6-azanyl-3-methyl-1-(2-methylpropyl)-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-isobutyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-besylpiperazin-1-ium-1-yl)acetyl]-1-isobutyl-3-methyl-pyrimidine-2,4-quinone Formula: C21H30N5O5S+ MolecularWeight: 464.5584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H29N5O5S/c1-15(2)13-26-19(22)18(20(28)23(3)21(26)29)17(27)14-24-9-11-25(12-10-24)32(30,31)16-7-5-4-6-8-16/h4-8,15H,9-14,22H2,1-3H3/p+1