6-(azepan-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-benzyl-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-benzyl-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c29-28(30)20-21(26-14-8-1-2-9-15-26)24-17-25-22(20)27(19-12-6-7-13-23-19)16-18-10-4-3-5-11-18/h3-7,10-13,17H,1-2,8-9,14-16H2