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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-benzyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-benzyl-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2/c23-22(24)15-16(18-12-14-8-4-3-5-9-14)19-13-20-17(15)21-10-6-1-2-7-11-21/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,18,19,20)