2-[(2S)-butan-2-yl]sulfanyl-3-(4-methoxyphenyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-methoxyphenyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-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-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[(2S)-butan-2-yl]sulfanyl-3-(4-methoxyphenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-3-(4-methoxyphenyl)-2-[[(1S)-1-methylpropyl]thio]pyrimidin-4-olate Formula: C22H23N2O3S- MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1C2=CC=C(C=C2)OC)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)SC1=NC(=O)C(=C(N1C2=CC=C(C=C2)OC)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-4-15(2)28-22-23-20(25)19(14-16-8-6-5-7-9-16)21(26)24(22)17-10-12-18(27-3)13-11-17/h5-13,15,26H,4,14H2,1-3H3/p-1/t15-/m0/s1