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

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

Systemtic Name:2-azanyl-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one
Openeye Name:2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one
CAS Name:2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one
IUPAC Name:2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one
Traditional Name:2-amino-9-[2-[bis(2-chloroethyl)amino]ethyl]-3H-purin-6-one
Formula: C11H16Cl2N6O
MolecularWeight: 319.19034
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H16Cl2N6O/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)


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