N-hexadecyl-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C30H43N5O3 MolecularWeight: 521.69412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC=CC3=C2N=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC=CC3=C2N=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C30H43N5O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-29-28(35(36)37)30(33-23-32-29)38-26-19-17-18-25-21-20-24(2)34-27(25)26/h17-21,23H,3-16,22H2,1-2H3,(H,31,32,33)