6-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-5-[2-oxo-2-(3-pyridylmethylamino)ethyl]-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-2-[[(1S)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-2-[(1S)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-keto-2-(3-pyridylmethylamino)ethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C21H21N4O2S- MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@@H](C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-14-18(11-19(26)23-13-16-7-6-10-22-12-16)20(27)25-21(24-14)28-15(2)17-8-4-3-5-9-17/h3-10,12,15H,11,13H2,1-2H3,(H,23,26)(H,24,25,27)/p-1/t15-/m0/s1