N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H24N6O4 MolecularWeight: 460.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O4/c1-15-7-9-17-18(28-15)5-4-6-19(17)29-24-22(30(31)32)23(26-14-27-24)25-12-11-16-8-10-20(33-2)21(13-16)34-3/h4-10,13-14H,11-12H2,1-3H3,(H2,25,26,27,29)