5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-4-thione

Systemtic Name: 5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-4-thione Openeye Name: 5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-4-thione CAS Name: 5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-4-thione IUPAC Name: 5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-4-thione Traditional Name: 5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-4-thione Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(=S)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(=S)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O2S/c19-18(20)12-13(15-9-16-14(12)21)17-7-5-10-3-1-2-4-11(10)6-8-17/h1-4,9H,5-8H2,(H,15,16,21)