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

Systemtic Name: 5-nitro-N,N-bis(phenylmethyl)-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N,N-dibenzyl-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: 5-nitro-N,N-bis(phenylmethyl)-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: dibenzyl-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C23H25N5O2 MolecularWeight: 403.4769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O2/c29-28(30)21-22(26-14-8-3-9-15-26)24-18-25-23(21)27(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-2,4-7,10-13,18H,3,8-9,14-17H2