N6-(3-methoxypropyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O3/c1-12-7-8-13-14(22-12)5-3-6-15(13)23-18-16(24(25)26)17(20-11-21-18)19-9-4-10-27-2/h3,5-8,11H,4,9-10H2,1-2H3,(H2,19,20,21,23)