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

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C17H24N5O4S+ MolecularWeight: 394.46856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C17H23N5O4S/c1-19-15(18)14(16(23)20(2)17(19)24)27(25,26)22-10-8-21(9-11-22)12-13-6-4-3-5-7-13/h3-7H,8-12,18H2,1-2H3/p+1