N-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]quinolin-8-amine

Systemtic Name: N-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]quinolin-8-amine Openeye Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-8-amine CAS Name: N-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-8-quinolinamine IUPAC Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C24H23N7O2 MolecularWeight: 441.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O2/c32-31(33)22-23(28-20-10-4-8-19-9-5-11-25-21(19)20)26-17-27-24(22)30-14-12-29(13-15-30)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,26,27,28)