N-[3-[[1-chloranylpropan-2-yl(2-chloroethyl)amino]methyl]phenyl]-5H-purin-6-amine

Systemtic Name: N-[3-[[1-chloranylpropan-2-yl(2-chloroethyl)amino]methyl]phenyl]-5H-purin-6-amine Openeye Name: N-[3-[[2-chloroethyl-(2-chloro-1-methyl-ethyl)amino]methyl]phenyl]-5H-purin-6-amine CAS Name: N-[3-[[2-chloroethyl(1-chloropropan-2-yl)amino]methyl]phenyl]-5H-purin-6-amine IUPAC Name: N-[3-[[2-chloroethyl(1-chloropropan-2-yl)amino]methyl]phenyl]-5H-purin-6-amine Traditional Name: 2-chloroethyl-(2-chloro-1-methyl-ethyl)-[3-(5H-purin-6-ylamino)benzyl]amine Formula: C17H20Cl2N6 MolecularWeight: 379.2869

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCl)N(CCCl)CC1=CC(=CC=C1)NC2=NC=NC3=NC=NC32

Isomeric SMILES

CC(CCl)N(CCCl)CC1=CC(=CC=C1)NC2=NC=NC3=NC=NC32

InChI

InChI=1S/C17H20Cl2N6/c1-12(8-19)25(6-5-18)9-13-3-2-4-14(7-13)24-17-15-16(21-10-20-15)22-11-23-17/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,20,21,22,23,24)