6-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(isobutylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(2-methylpropylamino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(2-methylpropylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(isobutylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CC1=CC(=NC(=N1)SCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)CNC(=O)CC1=CC(=NC(=N1)SCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C17H21N3O2S/c1-12(2)10-18-15(21)8-14-9-16(22)20-17(19-14)23-11-13-6-4-3-5-7-13/h3-7,9,12H,8,10-11H2,1-2H3,(H,18,21)(H,19,20,22)/p-1