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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N)OC

Isomeric SMILES

COC(CCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N)OC

InChI

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