2-azanyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one Openeye Name: 2-amino-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one CAS Name: 2-amino-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one Traditional Name: 2-amino-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one Formula: C14H15N5O3 MolecularWeight: 301.3006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3/c15-14-16-12(11(19(21)22)13(20)17-14)18-7-5-9-3-1-2-4-10(9)6-8-18/h1-4H,5-8H2,(H3,15,16,17,20)