sodium 5-(cyclohexen-1-yl)-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidine-2-thiolate

Systemtic Name: sodium 5-(cyclohexen-1-yl)-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-allyl-5-(cyclohexen-1-yl)-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 5-(1-cyclohexenyl)-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-(cyclohexen-1-yl)-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-allyl-5-(cyclohexen-1-yl)-4,6-diketo-1H-pyrimidine-2-thiolate Formula: C13H15N2NaO2S MolecularWeight: 286.32517

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)NC(=NC1=O)[S-])C2=CCCCC2.[Na+]

Isomeric SMILES

C=CCC1(C(=O)NC(=NC1=O)[S-])C2=CCCCC2.[Na+]

InChI

InChI=1S/C13H16N2O2S.Na/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17;/h2,6H,1,3-5,7-8H2,(H2,14,15,16,17,18);/q;+1/p-1