6-(azepan-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C17H28N6O3 MolecularWeight: 364.44262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H28N6O3/c24-23(25)15-16(18-6-5-7-21-10-12-26-13-11-21)19-14-20-17(15)22-8-3-1-2-4-9-22/h14H,1-13H2,(H,18,19,20)