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2-[bis(2-chloroethyl)aminomethyl]-4-(5H-purin-6-ylamino)phenol

2-[bis(2-chloroethyl)aminomethyl]-4-(5H-purin-6-ylamino)phenol

Systemtic Name:2-[bis(2-chloroethyl)aminomethyl]-4-(5H-purin-6-ylamino)phenol
Openeye Name:2-[bis(2-chloroethyl)aminomethyl]-4-(5H-purin-6-ylamino)phenol
CAS Name:2-[bis(2-chloroethyl)aminomethyl]-4-(5H-purin-6-ylamino)phenol
IUPAC Name:2-[bis(2-chloroethyl)aminomethyl]-4-(5H-purin-6-ylamino)phenol
Traditional Name:2-[bis(2-chloroethyl)aminomethyl]-4-(5H-purin-6-ylamino)phenol
Formula: C16H18Cl2N6O
MolecularWeight: 381.25972
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=NC3=NC=NC32)CN(CCCl)CCCl)O


Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=NC3=NC=NC32)CN(CCCl)CCCl)O


InChI

InChI=1S/C16H18Cl2N6O/c17-3-5-24(6-4-18)8-11-7-12(1-2-13(11)25)23-16-14-15(20-9-19-14)21-10-22-16/h1-2,7,9-10,14,25H,3-6,8H2,(H,19,20,21,22,23)


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