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

Systemtic Name: N4-methyl-N4-(1-methylpiperidin-4-yl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N4-(1-methyl-4-piperidyl)-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N4-(1-methyl-4-piperidinyl)-N6-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-(1-methyl-4-piperidyl)-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)N(C)C4CCN(CC4)C)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)N(C)C4CCN(CC4)C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C21H25N7O2/c1-14-7-8-15-5-4-6-17(18(15)24-14)25-20-19(28(29)30)21(23-13-22-20)27(3)16-9-11-26(2)12-10-16/h4-8,13,16H,9-12H2,1-3H3,(H,22,23,25)