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

Systemtic Name: N4-(1-methoxypropan-2-yl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[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)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O3/c1-11-7-8-13-14(21-11)5-4-6-15(13)23-18-16(24(25)26)17(19-10-20-18)22-12(2)9-27-3/h4-8,10,12H,9H2,1-3H3,(H2,19,20,22,23)