ethyl 4-[[2,4-bis(azanyl)-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate hydrochloride

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate hydrochloride Openeye Name: ethyl 4-[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]azobenzoate hydrochloride CAS Name: 4-[[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]-5-pyrimidinyl]azo]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate hydrochloride Traditional Name: 4-[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]azobenzoic acid ethyl ester hydrochloride Formula: C20H30Cl2N8O2 MolecularWeight: 485.4106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl.Cl

Isomeric SMILES

CCN(CCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl.Cl

InChI

InChI=1S/C20H29ClN8O2.ClH/c1-3-29(13-10-21)12-5-11-24-18-16(17(22)25-20(23)26-18)28-27-15-8-6-14(7-9-15)19(30)31-4-2;/h6-9H,3-5,10-13H2,1-2H3,(H5,22,23,24,25,26);1H