sodium 5-ethyl-5-(3-methylbutyl)-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidine-2-thiolate

Systemtic Name: sodium 5-ethyl-5-(3-methylbutyl)-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidine-2-thiolate Openeye Name: sodium 1-allyl-5-ethyl-5-isopentyl-4,6-dioxo-pyrimidine-2-thiolate CAS Name: sodium 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1-prop-2-enyl-2-pyrimidinethiolate IUPAC Name: sodium 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1-prop-2-enylpyrimidine-2-thiolate Traditional Name: sodium 1-allyl-5-ethyl-5-isoamyl-4,6-diketo-pyrimidine-2-thiolate Formula: C14H21N2NaO2S MolecularWeight: 304.38351

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N=C(N(C1=O)CC=C)[S-])CCC(C)C.[Na+]

Isomeric SMILES

CCC1(C(=O)N=C(N(C1=O)CC=C)[S-])CCC(C)C.[Na+]

InChI

InChI=1S/C14H22N2O2S.Na/c1-5-9-16-12(18)14(6-2,8-7-10(3)4)11(17)15-13(16)19;/h5,10H,1,6-9H2,2-4H3,(H,15,17,19);/q;+1/p-1