2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-5-pentyl-pyrimidin-4-olate

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-5-pentyl-pyrimidin-4-olate Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-6-methyl-5-pentyl-pyrimidin-4-olate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-6-methyl-5-pentyl-4-pyrimidinolate IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-6-methyl-5-pentylpyrimidin-4-olate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-5-amyl-6-methyl-pyrimidin-4-olate Formula: C12H18N3O2S- MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(N=C1[O-])SCC(=O)N)C

Isomeric SMILES

CCCCCC1=C(N=C(N=C1[O-])SCC(=O)N)C

InChI

InChI=1S/C12H19N3O2S/c1-3-4-5-6-9-8(2)14-12(15-11(9)17)18-7-10(13)16/h3-7H2,1-2H3,(H2,13,16)(H,14,15,17)/p-1