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

Systemtic Name: 3-ethyl-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 3-ethyl-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 3-ethyl-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 3-ethyl-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 3-ethyl-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

Isomeric SMILES

CCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2)C

InChI

InChI=1S/C17H20N4O3/c1-3-20-12(2)18-16(15(17(20)22)21(23)24)19-10-8-13-6-4-5-7-14(13)9-11-19/h4-7H,3,8-11H2,1-2H3