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

Systemtic Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C24H23N7O3 MolecularWeight: 457.48452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC5=C4C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O3/c1-34-18-9-7-17(8-10-18)29-12-14-30(15-13-29)24-22(31(32)33)23(26-16-27-24)28-21-6-2-5-20-19(21)4-3-11-25-20/h2-11,16H,12-15H2,1H3,(H,26,27,28)