6-[(4-chlorophenyl)methylamino]-9-(4-oxidanylbutyl)-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)methylamino]-9-(4-oxidanylbutyl)-7,8-dihydropurine-2-carbonitrile Openeye Name: 6-[(4-chlorophenyl)methylamino]-9-(4-hydroxybutyl)-7,8-dihydropurine-2-carbonitrile CAS Name: 6-[(4-chlorophenyl)methylamino]-9-(4-hydroxybutyl)-7,8-dihydropurine-2-carbonitrile IUPAC Name: 6-[(4-chlorophenyl)methylamino]-9-(4-hydroxybutyl)-7,8-dihydropurine-2-carbonitrile Traditional Name: 6-[(4-chlorobenzyl)amino]-9-(4-hydroxybutyl)-7,8-dihydropurine-2-carbonitrile Formula: C17H19ClN6O MolecularWeight: 358.82536

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCCCO)N=C(N=C2NCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1NC2=C(N1CCCCO)N=C(N=C2NCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H19ClN6O/c18-13-5-3-12(4-6-13)10-20-16-15-17(23-14(9-19)22-16)24(11-21-15)7-1-2-8-25/h3-6,21,25H,1-2,7-8,10-11H2,(H,20,22,23)