2-methyl-N-oxidanyl-4-oxidanylidene-6-(4-oxidanyl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-5-amine oxide

Systemtic Name: 2-methyl-N-oxidanyl-4-oxidanylidene-6-(4-oxidanyl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-5-amine oxide Openeye Name: N-hydroxy-6-(4-hydroxy-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-2-methyl-4-oxo-1H-pyrimidin-5-amine oxide CAS Name: N-hydroxy-6-(4-hydroxy-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-2-methyl-4-oxo-1H-pyrimidin-5-amine oxide IUPAC Name: N-hydroxy-6-(4-hydroxy-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-2-methyl-4-oxo-1H-pyrimidin-5-amine oxide Traditional Name: N-hydroxy-6-(4-hydroxy-4,5,7,8-tetrahydrothien[2,3-d]azepin-6-yl)-4-keto-2-methyl-1H-pyrimidin-5-amine oxide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=C(C=CS3)C(C2)O)[NH+](O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=C(C=CS3)C(C2)O)[NH+](O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-7-14-12(11(17(20)21)13(19)15-7)16-4-2-10-8(3-5-22-10)9(18)6-16/h3,5,9,17-18,20H,2,4,6H2,1H3,(H,14,15,19)