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

Systemtic Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine Openeye Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine CAS Name: N-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-methyl-5-quinolinamine IUPAC Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-5-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C25H25N7O3 MolecularWeight: 471.5111

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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)C5=CC=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N7O3/c1-17-6-11-20-21(28-17)4-3-5-22(20)29-24-23(32(33)34)25(27-16-26-24)31-14-12-30(13-15-31)18-7-9-19(35-2)10-8-18/h3-11,16H,12-15H2,1-2H3,(H,26,27,29)