6-methyl-2-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[[4-(thiazol-2-ylcarbamoyl)phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[[4-[oxo-(2-thiazolylamino)methyl]phenyl]methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[[4-(thiazol-2-ylcarbamoyl)benzyl]thio]pyrimidin-4-olate Formula: C16H13N4O2S2- MolecularWeight: 357.43002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=NC=CS3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=NC=CS3)[O-]

InChI

InChI=1S/C16H14N4O2S2/c1-10-8-13(21)19-16(18-10)24-9-11-2-4-12(5-3-11)14(22)20-15-17-6-7-23-15/h2-8H,9H2,1H3,(H,17,20,22)(H,18,19,21)/p-1