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

Systemtic Name: N4-(2-methylquinolin-8-yl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-8-quinolyl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-8-quinolinyl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-8-yl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-8-quinolyl)-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H23N7O3/c1-14-5-6-15-3-2-4-16(17(15)24-14)25-20-18(27(28)29)19(22-13-23-20)21-7-8-26-9-11-30-12-10-26/h2-6,13H,7-12H2,1H3,(H2,21,22,23,25)