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

Systemtic Name: 2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]-N-(2-naphthyl)acetamide CAS Name: 2-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]-N-(2-naphthyl)acetamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O3/c1-26-8-10-27(11-9-26)21-19(28(30)31)20(23-14-24-21)22-13-18(29)25-17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13H2,1H3,(H,25,29)(H,22,23,24)