[3-[[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]amino]diazenyl]-4-phenyl-butyl] ethanoate

Systemtic Name: [3-[[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]amino]diazenyl]-4-phenyl-butyl] ethanoate Openeye Name: [3-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)anilino]azo-4-phenyl-butyl] acetate CAS Name: acetic acid [3-[2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)anilino]azo-4-phenylbutyl] ester IUPAC Name: [3-[[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)anilino]diazenyl]-4-phenylbutyl] acetate Traditional Name: acetic acid [3-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)anilino]azo-4-phenyl-butyl] ester Formula: C24H28ClN7O2 MolecularWeight: 481.97782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)NN=NC(CCOC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)NN=NC(CCOC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H28ClN7O2/c1-3-20-22(23(26)29-24(27)28-20)17-9-10-19(25)21(14-17)31-32-30-18(11-12-34-15(2)33)13-16-7-5-4-6-8-16/h4-10,14,18H,3,11-13H2,1-2H3,(H,30,31)(H4,26,27,28,29)