2-(2-methylpropylsulfanyl)-6-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-(2-methylpropylsulfanyl)-6-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-5-benzyl-2-isobutylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-(2-methylpropylthio)-6-oxo-5-(phenylmethyl)-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 5-benzyl-2-(2-methylpropylsulfanyl)-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-5-benzyl-2-(isobutylthio)-6-keto-pyrimidin-4-olate Formula: C18H21N2O2S- MolecularWeight: 329.43654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=O)C(=C(N1CC=C)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)CSC1=NC(=O)C(=C(N1CC=C)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S/c1-4-10-20-17(22)15(11-14-8-6-5-7-9-14)16(21)19-18(20)23-12-13(2)3/h4-9,13,22H,1,10-12H2,2-3H3/p-1