2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(isoamylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C14H22N3O2S- MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCCC(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCCC(C)C)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-4-5-11-8-12(18)17-14(16-11)20-9-13(19)15-7-6-10(2)3/h8,10H,4-7,9H2,1-3H3,(H,15,19)(H,16,17,18)/p-1