N-naphthalen-2-yl-2-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanamide

Systemtic Name: N-naphthalen-2-yl-2-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanamide Openeye Name: 2-[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]-N-(2-naphthyl)acetamide CAS Name: N-(2-naphthalenyl)-2-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]-N-(2-naphthyl)acetamide Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N7O3/c35-24(31-23-11-10-21-8-4-5-9-22(21)16-23)17-28-26-25(34(36)37)27(30-19-29-26)33-14-12-32(13-15-33)18-20-6-2-1-3-7-20/h1-11,16,19H,12-15,17-18H2,(H,31,35)(H,28,29,30)