6-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(1,3-benzodioxol-5-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c23-22(24)15-16(20-12-5-6-13-14(9-12)26-11-25-13)18-10-19-17(15)21-7-3-1-2-4-8-21/h5-6,9-10H,1-4,7-8,11H2,(H,18,19,20)