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

Systemtic Name: 2-[[2-[5-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-chloranyl-phenyl]hydrazinyl]-(phenylmethyl)amino]ethyl ethanoate Openeye Name: 2-[benzyl-[2-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]hydrazino]amino]ethyl acetate CAS Name: acetic acid 2-[[[2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenyl]hydrazo]-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl-[2-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]hydrazinyl]amino]ethyl acetate Traditional Name: acetic acid 2-[benzyl-[N'-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]hydrazino]amino]ethyl ester Formula: C23H28ClN7O2 MolecularWeight: 469.96712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN7O2/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/h4-10,13,29-30H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)