6-[(3,4-dichlorophenyl)methylamino]-9-[3-(methoxymethoxy)propyl]purine-2-carbonitrile

Systemtic Name: 6-[(3,4-dichlorophenyl)methylamino]-9-[3-(methoxymethoxy)propyl]purine-2-carbonitrile Openeye Name: 6-[(3,4-dichlorophenyl)methylamino]-9-[3-(methoxymethoxy)propyl]purine-2-carbonitrile CAS Name: 6-[(3,4-dichlorophenyl)methylamino]-9-[3-(methoxymethoxy)propyl]-2-purinecarbonitrile IUPAC Name: 6-[(3,4-dichlorophenyl)methylamino]-9-[3-(methoxymethoxy)propyl]purine-2-carbonitrile Traditional Name: 6-[(3,4-dichlorobenzyl)amino]-9-[3-(methoxymethoxy)propyl]purine-2-carbonitrile Formula: C18H18Cl2N6O2 MolecularWeight: 421.28052

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Descriptors Computed from Structure

Canonical SMILES:

COCOCCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

COCOCCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C18H18Cl2N6O2/c1-27-11-28-6-2-5-26-10-23-16-17(24-15(8-21)25-18(16)26)22-9-12-3-4-13(19)14(20)7-12/h3-4,7,10H,2,5-6,9,11H2,1H3,(H,22,24,25)