sodium 6-azanyl-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 6-azanyl-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-allyl-6-amino-5-(1-methylbutyl)-2-thioxo-pyrimidin-4-olate CAS Name: sodium 6-amino-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 6-amino-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-allyl-6-amino-5-(1-methylbutyl)-2-thioxo-pyrimidin-4-olate Formula: C12H18N3NaOS MolecularWeight: 275.34559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(C)C1(C(=NC(=S)N=C1[O-])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