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

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=NNC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=NNC(=O)C3=CC=CC=C3O2

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)