9-butyl-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurine-2-carbonitrile Openeye Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurine-2-carbonitrile CAS Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurine-2-carbonitrile IUPAC Name: 9-butyl-6-[(3,4-dichlorophenyl)methylamino]-7,8-dihydropurine-2-carbonitrile Traditional Name: 9-butyl-6-[(3,4-dichlorobenzyl)amino]-7,8-dihydropurine-2-carbonitrile Formula: C17H18Cl2N6 MolecularWeight: 377.27102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CNC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CCCCN1CNC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C17H18Cl2N6/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/h4-5,7,22H,2-3,6,9-10H2,1H3,(H,21,23,24)