2-[(2S)-butan-2-yl]sulfanyl-3-(4-methoxyphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-methoxyphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-(4-methoxyphenyl)-2-[(1S)-1-methylpropyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[(2S)-butan-2-yl]thio]-3-(4-methoxyphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-methoxyphenyl)-6-oxopyrimidin-4-olate Traditional Name: 6-keto-3-(4-methoxyphenyl)-2-[[(1S)-1-methylpropyl]thio]pyrimidin-4-olate Formula: C15H17N2O3S- MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1C2=CC=C(C=C2)OC)[O-]

Isomeric SMILES

CC[C@H](C)SC1=NC(=O)C=C(N1C2=CC=C(C=C2)OC)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-4-10(2)21-15-16-13(18)9-14(19)17(15)11-5-7-12(20-3)8-6-11/h5-10,19H,4H2,1-3H3/p-1/t10-/m0/s1