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

Systemtic Name: 5-ethyl-6-methyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C16H19N3O2S/c1-3-13-11(2)18-16(19-15(13)21)22-10-14(20)17-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,20)(H,18,19,21)/p-1