6-(azepan-1-yl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-benzyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-benzyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-benzyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c18-15-14(23(24)25)16(22-10-6-1-2-7-11-22)21-17(20-15)19-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H3,18,19,20,21)