6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]pyrimidin-4-olate Formula: C16H14N5O2S2- MolecularWeight: 372.44466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H15N5O2S2/c1-10-20-21-16(25-10)19-14(23)8-12-7-13(22)18-15(17-12)24-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,17,18,22)(H,19,21,23)/p-1