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

Systemtic Name: N6-hexadecyl-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C30H44N6O2 MolecularWeight: 520.70936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC(=N3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC(=N3)C

InChI

InChI=1S/C30H44N6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-29-28(36(37)38)30(33-23-32-29)35-27-19-17-18-26-25(27)21-20-24(2)34-26/h17-21,23H,3-16,22H2,1-2H3,(H2,31,32,33,35)