2-methyl-7-(2-methyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4-one

Systemtic Name: 2-methyl-7-(2-methyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4-one Openeye Name: 2-methyl-7-(2-methyl-5-nitro-4-oxo-1H-pyrimidin-6-yl)-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4-one CAS Name: 2-methyl-7-(2-methyl-5-nitro-4-oxo-1H-pyrimidin-6-yl)-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4-one IUPAC Name: 2-methyl-7-(2-methyl-5-nitro-4-oxo-1H-pyrimidin-6-yl)-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4-one Traditional Name: 7-(4-keto-2-methyl-5-nitro-1H-pyrimidin-6-yl)-2-methyl-5,6,8,9-tetrahydro-1H-pyrimid[4,5-d]azepin-4-one Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)CCN(CC2)C3=C(C(=O)N=C(N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)CCN(CC2)C3=C(C(=O)N=C(N3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4/c1-7-15-10-4-6-19(5-3-9(10)13(21)17-7)12-11(20(23)24)14(22)18-8(2)16-12/h3-6H2,1-2H3,(H,15,17,21)(H,16,18,22)