2-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-8-amine

Systemtic Name: 2-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-8-amine Openeye Name: 2-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-8-amine CAS Name: 2-methyl-N-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-8-quinolinamine IUPAC Name: 2-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C)C=C1

InChI

InChI=1S/C19H21N7O2/c1-13-6-7-14-4-3-5-15(16(14)22-13)23-18-17(26(27)28)19(21-12-20-18)25-10-8-24(2)9-11-25/h3-7,12H,8-11H2,1-2H3,(H,20,21,23)