ethyl 4-[[2,4-bis(azanyl)-6-(3-phenylazanylpropylamino)pyrimidin-5-yl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)-6-(3-phenylazanylpropylamino)pyrimidin-5-yl]diazenyl]benzoate Openeye Name: ethyl 4-[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]azobenzoate CAS Name: 4-[[2,4-diamino-6-(3-anilinopropylamino)-5-pyrimidinyl]azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]diazenyl]benzoate Traditional Name: 4-[2,4-diamino-6-(3-anilinopropylamino)pyrimidin-5-yl]azobenzoic acid ethyl ester Formula: C22H26N8O2 MolecularWeight: 434.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCCCNC3=CC=CC=C3)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2NCCCNC3=CC=CC=C3)N)N

InChI

InChI=1S/C22H26N8O2/c1-2-32-21(31)15-9-11-17(12-10-15)29-30-18-19(23)27-22(24)28-20(18)26-14-6-13-25-16-7-4-3-5-8-16/h3-5,7-12,25H,2,6,13-14H2,1H3,(H5,23,24,26,27,28)