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

Systemtic Name: 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-2-6-13-9-14(20)19-16(18-13)22-11-15(21)17-10-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10-11H2,1H3,(H,17,21)(H,18,19,20)/p-1