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

Systemtic Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]purine-2-carbonitrile Openeye Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]purine-2-carbonitrile CAS Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]-2-purinecarbonitrile IUPAC Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-butyl-6-[(3,4-dichlorobenzyl)amino]purine-2-carbonitrile Formula: C17H16Cl2N6 MolecularWeight: 375.25514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C17H16Cl2N6/c1-2-3-6-25-10-22-15-16(23-14(8-20)24-17(15)25)21-9-11-4-5-12(18)13(19)7-11/h4-5,7,10H,2-3,6,9H2,1H3,(H,21,23,24)