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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2/c23-22(24)14-15(18-11-13-6-5-7-17-10-13)19-12-20-16(14)21-8-3-1-2-4-9-21/h5-7,10,12H,1-4,8-9,11H2,(H,18,19,20)