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

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

Systemtic Name:ethyl 4-[[2,4-bis(azanyl)-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]diazenyl]benzoate
Openeye Name:ethyl 4-[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]azobenzoate
CAS Name:4-[[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]-5-pyrimidinyl]azo]benzoic acid ethyl ester
IUPAC Name:ethyl 4-[[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]diazenyl]benzoate
Traditional Name:4-[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]azobenzoic acid ethyl ester
Formula: C22H33ClN8O2
MolecularWeight: 477.00282
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl


Isomeric SMILES

CCN(CCCCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl


InChI

InChI=1S/C22H33ClN8O2/c1-3-31(15-12-23)14-7-5-6-13-26-20-18(19(24)27-22(25)28-20)30-29-17-10-8-16(9-11-17)21(32)33-4-2/h8-11H,3-7,12-15H2,1-2H3,(H5,24,25,26,27,28)


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