9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purine-6-thione hydrochloride

Systemtic Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purine-6-thione hydrochloride Openeye Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purine-6-thione hydrochloride CAS Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purine-6-thione hydrochloride IUPAC Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purine-6-thione hydrochloride Traditional Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purine-6-thione hydrochloride Formula: C15H16Cl3N5S MolecularWeight: 404.74504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC3=C2NC=NC3=S)N(CCCl)CCCl.Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=NC3=C2NC=NC3=S)N(CCCl)CCCl.Cl

InChI

InChI=1S/C15H15Cl2N5S.ClH/c16-5-7-21(8-6-17)11-1-3-12(4-2-11)22-10-20-13-14(22)18-9-19-15(13)23;/h1-4,9-10H,5-8H2,(H,18,19,23);1H