2-[bis(2-chloroethyl)aminomethyl]-4-(7H-purin-6-ylamino)phenol

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-4-(7H-purin-6-ylamino)phenol Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-4-(7H-purin-6-ylamino)phenol CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-4-(7H-purin-6-ylamino)phenol IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-4-(7H-purin-6-ylamino)phenol Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-4-(7H-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=C2NC=N3)CN(CCCl)CCCl)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=NC3=C2NC=N3)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/h1-2,7,9-10,25H,3-6,8H2,(H2,19,20,21,22,23)