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

Systemtic Name: 2-methyl-5-nitro-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-4-one CAS Name: 2-methyl-5-nitro-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-nitro-6-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-6-(5,6,8,9-tetrahydropyrimid[4,5-d]azepin-7-yl)-1H-pyrimidin-4-one Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O3/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/h6-7H,2-5H2,1H3,(H,16,17,20)