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

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5-(phenylmethyl)-5-prop-2-enyl-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-allyl-5-benzyl-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 4,6-dioxo-5-(phenylmethyl)-5-prop-2-enyl-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-benzyl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-allyl-5-benzyl-4,6-diketo-1H-pyrimidine-2-thiolate Formula: C14H13N2NaO2S MolecularWeight: 296.31999

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)NC(=NC1=O)[S-])CC2=CC=CC=C2.[Na+]

Isomeric SMILES

C=CCC1(C(=O)NC(=NC1=O)[S-])CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H14N2O2S.Na/c1-2-8-14(9-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18;/h2-7H,1,8-9H2,(H2,15,16,17,18,19);/q;+1/p-1