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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N,N-dibenzyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N,N-dibenzyl-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-dibenzyl-amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O2/c30-29(31)22-23(27-15-9-1-2-10-16-27)25-19-26-24(22)28(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21/h3-8,11-14,19H,1-2,9-10,15-18H2