2-[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H22N3O4S- MolecularWeight: 340.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCCCC(=O)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCCCC(=O)OCC)[O-]

InChI

InChI=1S/C15H23N3O4S/c1-3-6-11-9-12(19)18-15(17-11)23-10-13(20)16-8-5-7-14(21)22-4-2/h9H,3-8,10H2,1-2H3,(H,16,20)(H,17,18,19)/p-1