9-[3-[bis(2-chloroethyl)amino]propyl]-3H-purin-6-one

Systemtic Name: 9-[3-[bis(2-chloroethyl)amino]propyl]-3H-purin-6-one Openeye Name: 9-[3-[bis(2-chloroethyl)amino]propyl]-3H-purin-6-one CAS Name: 9-[3-[bis(2-chloroethyl)amino]propyl]-3H-purin-6-one IUPAC Name: 9-[3-[bis(2-chloroethyl)amino]propyl]-3H-purin-6-one Traditional Name: 9-[3-[bis(2-chloroethyl)amino]propyl]-3H-purin-6-one Formula: C12H17Cl2N5O MolecularWeight: 318.20228

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCCN(CCCl)CCCl

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCCN(CCCl)CCCl

InChI

InChI=1S/C12H17Cl2N5O/c13-2-6-18(7-3-14)4-1-5-19-9-17-10-11(19)15-8-16-12(10)20/h8-9H,1-7H2,(H,15,16,20)