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

Systemtic Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(3-methoxypropyl)purine-2-carbonitrile Openeye Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(3-methoxypropyl)purine-2-carbonitrile CAS Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(3-methoxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(3-methoxypropyl)purine-2-carbonitrile Traditional Name: 6-[(3,4-dichlorobenzyl)amino]-9-(3-methoxypropyl)purine-2-carbonitrile Formula: C17H16Cl2N6O MolecularWeight: 391.25454

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

COCCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C17H16Cl2N6O/c1-26-6-2-5-25-10-22-15-16(23-14(8-20)24-17(15)25)21-9-11-3-4-12(18)13(19)7-11/h3-4,7,10H,2,5-6,9H2,1H3,(H,21,23,24)