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

Systemtic Name: 2-methyl-N-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine CAS Name: 2-methyl-N-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-5-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C25H25N7O2 MolecularWeight: 455.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N7O2/c1-18-10-11-20-21(28-18)8-5-9-22(20)29-24-23(32(33)34)25(27-17-26-24)31-14-12-30(13-15-31)16-19-6-3-2-4-7-19/h2-11,17H,12-16H2,1H3,(H,26,27,29)