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

Systemtic Name: 6-(azepan-1-yl)-N-naphthalen-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(1-naphthyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(1-naphthalenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c26-25(27)18-19(21-14-22-20(18)24-12-5-1-2-6-13-24)23-17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,21,22,23)