N-[3-[[1-chloranylpropan-2-yl(2-chloroethyl)amino]methyl]-4-ethoxy-phenyl]-5H-purin-6-amine

Systemtic Name: N-[3-[[1-chloranylpropan-2-yl(2-chloroethyl)amino]methyl]-4-ethoxy-phenyl]-5H-purin-6-amine Openeye Name: N-[3-[[2-chloroethyl-(2-chloro-1-methyl-ethyl)amino]methyl]-4-ethoxy-phenyl]-5H-purin-6-amine CAS Name: N-[3-[[2-chloroethyl(1-chloropropan-2-yl)amino]methyl]-4-ethoxyphenyl]-5H-purin-6-amine IUPAC Name: N-[3-[[2-chloroethyl(1-chloropropan-2-yl)amino]methyl]-4-ethoxyphenyl]-5H-purin-6-amine Traditional Name: 2-chloroethyl-(2-chloro-1-methyl-ethyl)-[2-ethoxy-5-(5H-purin-6-ylamino)benzyl]amine Formula: C19H24Cl2N6O MolecularWeight: 423.33946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=NC=NC3=NC=NC32)CN(CCCl)C(C)CCl

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=NC=NC3=NC=NC32)CN(CCCl)C(C)CCl

InChI

InChI=1S/C19H24Cl2N6O/c1-3-28-16-5-4-15(8-14(16)10-27(7-6-20)13(2)9-21)26-19-17-18(23-11-22-17)24-12-25-19/h4-5,8,11-13,17H,3,6-7,9-10H2,1-2H3,(H,22,23,24,25,26)