N-(4-methylpiperazin-1-yl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-methylpiperazin-1-yl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-methylpiperazin-1-yl)-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(4-methyl-1-piperazinyl)-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-methylpiperazin-1-yl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: (4-methylpiperazino)-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NN4CCN(CC4)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NN4CCN(CC4)C)C=C1

InChI

InChI=1S/C19H21N7O3/c1-13-6-7-14-4-3-5-15(16(14)22-13)29-19-17(26(27)28)18(20-12-21-19)23-25-10-8-24(2)9-11-25/h3-7,12H,8-11H2,1-2H3,(H,20,21,23)