2-azanyl-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one hydrochloride

Systemtic Name: 2-azanyl-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one hydrochloride Openeye Name: 2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one hydrochloride CAS Name: 2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one hydrochloride IUPAC Name: 2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one hydrochloride Traditional Name: 2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one hydrochloride Formula: C11H17Cl3N6O MolecularWeight: 355.65128

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCN(CCCl)CCCl)NC(=NC2=O)N.Cl

Isomeric SMILES

C1=NC2=C(N1CCN(CCCl)CCCl)NC(=NC2=O)N.Cl

InChI

InChI=1S/C11H16Cl2N6O.ClH/c12-1-3-18(4-2-13)5-6-19-7-15-8-9(19)16-11(14)17-10(8)20;/h7H,1-6H2,(H3,14,16,17,20);1H