N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]-5H-purin-6-amine

Systemtic Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]-5H-purin-6-amine Openeye Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]-5H-purin-6-amine CAS Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxyphenyl]-5H-purin-6-amine IUPAC Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxyphenyl]-5H-purin-6-amine Traditional Name: bis(2-chloroethyl)-[2-ethoxy-5-(5H-purin-6-ylamino)benzyl]amine Formula: C18H22Cl2N6O MolecularWeight: 409.31288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl2N6O/c1-2-27-15-4-3-14(9-13(15)10-26(7-5-19)8-6-20)25-18-16-17(22-11-21-16)23-12-24-18/h3-4,9,11-12,16H,2,5-8,10H2,1H3,(H,21,22,23,24,25)