2-methyl-N-oxidanyl-4-oxidanylidene-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-5-amine oxide

Systemtic Name: 2-methyl-N-oxidanyl-4-oxidanylidene-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-5-amine oxide Openeye Name: N-hydroxy-2-methyl-4-oxo-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-5-amine oxide CAS Name: N-hydroxy-2-methyl-4-oxo-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-5-amine oxide IUPAC Name: N-hydroxy-2-methyl-4-oxo-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-5-amine oxide Traditional Name: N-hydroxy-4-keto-2-methyl-6-(5,6,8,9-tetrahydropyrimid[4,5-d]azepin-7-yl)-1H-pyrimidin-5-amine oxide Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=CN=CN=C3CC2)[NH+](O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=CN=CN=C3CC2)[NH+](O)[O-]

InChI

InChI=1S/C13H16N6O3/c1-8-16-12(11(19(21)22)13(20)17-8)18-4-2-9-6-14-7-15-10(9)3-5-18/h6-7,19,21H,2-5H2,1H3,(H,16,17,20)