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

Systemtic Name: 2-methyl-5-nitro-3-(3-oxidanylpropyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one CAS Name: 3-(3-hydroxypropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinone IUPAC Name: 3-(3-hydroxypropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-one Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CCCO)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=O)N1CCCO)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C18H22N4O4/c1-13-19-17(16(22(25)26)18(24)21(13)9-4-12-23)20-10-7-14-5-2-3-6-15(14)8-11-20/h2-3,5-6,23H,4,7-12H2,1H3