5-[4-chloranyl-3-(undecylamino)phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-chloranyl-3-(undecylamino)phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-chloro-3-(undecylamino)phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-chloro-3-(undecylamino)phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-chloro-3-(undecylamino)phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]-undecyl-amine Formula: C23H36ClN5 MolecularWeight: 418.01844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=C(C=CC(=C1)C2=C(N=C(N=C2N)N)CC)Cl

Isomeric SMILES

CCCCCCCCCCCNC1=C(C=CC(=C1)C2=C(N=C(N=C2N)N)CC)Cl

InChI

InChI=1S/C23H36ClN5/c1-3-5-6-7-8-9-10-11-12-15-27-20-16-17(13-14-18(20)24)21-19(4-2)28-23(26)29-22(21)25/h13-14,16,27H,3-12,15H2,1-2H3,(H4,25,26,28,29)