1,3-dimethyl-6-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]pyrimidine-2,4-quinone Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CN2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CN2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C16H22N4O2S/c1-17-14(9-15(21)18(2)16(17)22)11-20-6-4-19(5-7-20)10-13-3-8-23-12-13/h3,8-9,12H,4-7,10-11H2,1-2H3/p+1