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

Systemtic Name: 6-(azepan-1-yl)-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-benzhydryl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(diphenylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-benzhydryl-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-benzhydryl-amine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c29-28(30)21-22(24-17-25-23(21)27-15-9-1-2-10-16-27)26-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,1-2,9-10,15-16H2,(H,24,25,26)