6-methyl-2-[(5-oxidanylidene-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[(5-oxidanylidene-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(5-keto-4H-1,3,4-benzoxadiazepin-2-yl)methylthio]-6-methyl-pyrimidin-4-olate Formula: C14H11N4O3S- MolecularWeight: 315.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NNC(=O)C3=CC=CC=C3O2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NNC(=O)C3=CC=CC=C3O2)[O-]

InChI

InChI=1S/C14H12N4O3S/c1-8-6-11(19)16-14(15-8)22-7-12-17-18-13(20)9-4-2-3-5-10(9)21-12/h2-6H,7H2,1H3,(H,18,20)(H,15,16,19)/p-1