6-(4-ethylpiperazin-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-ethylpiperazin-1-yl)-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-ethylpiperazin-1-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O2/c1-2-26-12-14-27(15-13-26)21-20(29(30)31)22(25-17-24-21)28(19-10-6-7-11-23-19)16-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3