N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-8-amine

Systemtic Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-8-amine Openeye Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-8-amine CAS Name: N-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-8-quinolinamine IUPAC Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]quinolin-8-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C25H25N7O2 MolecularWeight: 455.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C25H25N7O2/c1-17-6-3-10-21(18(17)2)30-12-14-31(15-13-30)25-23(32(33)34)24(27-16-28-25)29-20-9-4-7-19-8-5-11-26-22(19)20/h3-11,16H,12-15H2,1-2H3,(H,27,28,29)