N4-(4-methylpiperazin-1-yl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylpiperazin-1-yl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-N6-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-1-yl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H22N8O2 MolecularWeight: 394.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NN4CCN(CC4)C)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NN4CCN(CC4)C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C19H22N8O2/c1-13-6-7-14-4-3-5-15(16(14)22-13)23-18-17(27(28)29)19(21-12-20-18)24-26-10-8-25(2)9-11-26/h3-7,12H,8-11H2,1-2H3,(H2,20,21,23,24)