2-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C23H24N3O3S- MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)OC)[O-]

InChI

InChI=1S/C23H25N3O3S/c1-4-8-17-14-20(27)26-23(24-17)30-21(16-9-6-5-7-10-16)22(28)25-18-13-15(2)11-12-19(18)29-3/h5-7,9-14,21H,4,8H2,1-3H3,(H,25,28)(H,24,26,27)/p-1/t21-/m0/s1