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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c23-21(24)13-7-5-6-12(10-13)19-15-14(22(25)26)16(18-11-17-15)20-8-3-1-2-4-9-20/h5-7,10-11H,1-4,8-9H2,(H,17,18,19)