N4,N4-bis(2-methoxyethyl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N4-bis(2-methoxyethyl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N4-bis(2-methoxyethyl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N4-bis(2-methoxyethyl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-bis(2-methoxyethyl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: bis(2-methoxyethyl)-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)N(CCOC)CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)N(CCOC)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4/c1-14-7-8-15-16(23-14)5-4-6-17(15)24-19-18(26(27)28)20(22-13-21-19)25(9-11-29-2)10-12-30-3/h4-8,13H,9-12H2,1-3H3,(H,21,22,24)