1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-2,4-dioxo-6-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-2,4-dioxo-6-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[4-(2-thenyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Formula: C16H20N5O2S+ MolecularWeight: 346.4273

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C16H19N5O2S/c1-18-14(13(10-17)15(22)19(2)16(18)23)21-7-5-20(6-8-21)11-12-4-3-9-24-12/h3-4,9H,5-8,11H2,1-2H3/p+1