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

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-2,4-dioxo-6-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-2,4-dioxo-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[4-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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