sodium 5-but-3-en-2-yl-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidine-2-thiolate

Systemtic Name: sodium 5-but-3-en-2-yl-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-allyl-5-(1-methylallyl)-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 5-but-3-en-2-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-but-3-en-2-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-allyl-4,6-diketo-5-(1-methylallyl)-1H-pyrimidine-2-thiolate Formula: C11H13N2NaO2S MolecularWeight: 260.28789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]

Isomeric SMILES

CC(C=C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]

InChI

InChI=1S/C11H14N2O2S.Na/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15;/h4-5,7H,1-2,6H2,3H3,(H2,12,13,14,15,16);/q;+1/p-1