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

Systemtic Name: 2-[[[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]diazenyl]-(phenylmethyl)amino]ethyl ethanoate Openeye Name: 2-[benzyl-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-amino]ethyl acetate CAS Name: acetic acid 2-[[2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenyl]azo-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl-[[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]diazenyl]amino]ethyl acetate Traditional Name: acetic acid 2-[benzyl-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-amino]ethyl ester Formula: C23H26ClN7O2 MolecularWeight: 467.95124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)