6-[(4-chlorophenyl)methylamino]-9-(cyclohexylmethyl)purine-2-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)methylamino]-9-(cyclohexylmethyl)purine-2-carbonitrile Openeye Name: 6-[(4-chlorophenyl)methylamino]-9-(cyclohexylmethyl)purine-2-carbonitrile CAS Name: 6-[(4-chlorophenyl)methylamino]-9-(cyclohexylmethyl)-2-purinecarbonitrile IUPAC Name: 6-[(4-chlorophenyl)methylamino]-9-(cyclohexylmethyl)purine-2-carbonitrile Traditional Name: 6-[(4-chlorobenzyl)amino]-9-(cyclohexylmethyl)purine-2-carbonitrile Formula: C20H21ClN6 MolecularWeight: 380.87394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCC(CC1)CN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C20H21ClN6/c21-16-8-6-14(7-9-16)11-23-19-18-20(26-17(10-22)25-19)27(13-24-18)12-15-4-2-1-3-5-15/h6-9,13,15H,1-5,11-12H2,(H,23,25,26)