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

Systemtic Name: 6-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c24-23(25)16-17(19-10-13-5-6-14-15(9-13)27-12-26-14)20-11-21-18(16)22-7-3-1-2-4-8-22/h5-6,9,11H,1-4,7-8,10,12H2,(H,19,20,21)