sodium 4-azanyl-6-oxidanylidene-5-pentan-2-yl-5-prop-2-enyl-pyrimidine-2-thiolate

Systemtic Name: sodium 4-azanyl-6-oxidanylidene-5-pentan-2-yl-5-prop-2-enyl-pyrimidine-2-thiolate Openeye Name: sodium 5-allyl-4-amino-5-(1-methylbutyl)-6-oxo-pyrimidine-2-thiolate CAS Name: sodium 4-amino-6-oxo-5-pentan-2-yl-5-prop-2-enyl-2-pyrimidinethiolate IUPAC Name: sodium 4-amino-6-oxo-5-pentan-2-yl-5-prop-2-enylpyrimidine-2-thiolate Traditional Name: sodium 5-allyl-4-amino-6-keto-5-(1-methylbutyl)pyrimidine-2-thiolate Formula: C12H18N3NaOS MolecularWeight: 275.34559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3OS.Na/c1-4-6-8(3)12(7-5-2)9(13)14-11(17)15-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H3,13,14,15,16,17);/q;+1/p-1