ethyl 4-[[2,4-bis(azanyl)-6-[(2-chloranyl-3-phenylazanyl-propyl)amino]pyrimidin-5-yl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)-6-[(2-chloranyl-3-phenylazanyl-propyl)amino]pyrimidin-5-yl]diazenyl]benzoate Openeye Name: ethyl 4-[2,4-diamino-6-[(3-anilino-2-chloro-propyl)amino]pyrimidin-5-yl]azobenzoate CAS Name: 4-[[2,4-diamino-6-[(3-anilino-2-chloropropyl)amino]-5-pyrimidinyl]azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,4-diamino-6-[(3-anilino-2-chloropropyl)amino]pyrimidin-5-yl]diazenyl]benzoate Traditional Name: 4-[2,4-diamino-6-[(3-anilino-2-chloro-propyl)amino]pyrimidin-5-yl]azobenzoic acid ethyl ester Formula: C22H25ClN8O2 MolecularWeight: 468.9393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCC(CNC3=CC=CC=C3)Cl)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCC(CNC3=CC=CC=C3)Cl)N)N

InChI

InChI=1S/C22H25ClN8O2/c1-2-33-21(32)14-8-10-17(11-9-14)30-31-18-19(24)28-22(25)29-20(18)27-13-15(23)12-26-16-6-4-3-5-7-16/h3-11,15,26H,2,12-13H2,1H3,(H5,24,25,27,28,29)