6-methyl-2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-6-methyl-2-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-6-methyl-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H15N4O2S2- MolecularWeight: 371.4566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=NC=CS2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=NC=CS2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S2/c1-11-13(9-12-5-3-2-4-6-12)15(23)21-17(19-11)25-10-14(22)20-16-18-7-8-24-16/h2-8H,9-10H2,1H3,(H,18,20,22)(H,19,21,23)/p-1