ethyl 4-[[2,4-bis(azanyl)-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenyl]benzoate Openeye Name: ethyl 4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]azobenzoate CAS Name: 4-[[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]-5-pyrimidinyl]azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenyl]benzoate Traditional Name: 4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]azobenzoic acid ethyl ester Formula: C23H35ClN8O2 MolecularWeight: 491.0294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl

Isomeric SMILES

CCN(CCCCCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl

InChI

InChI=1S/C23H35ClN8O2/c1-3-32(16-13-24)15-8-6-5-7-14-27-21-19(20(25)28-23(26)29-21)31-30-18-11-9-17(10-12-18)22(33)34-4-2/h9-12H,3-8,13-16H2,1-2H3,(H5,25,26,27,28,29)