2-chloranyl-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine Openeye Name: 2-chloro-9-cyclohexyl-N-(4-morpholinophenyl)purin-6-amine CAS Name: 2-chloro-9-cyclohexyl-N-[4-(4-morpholinyl)phenyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine Traditional Name: (2-chloro-9-cyclohexyl-purin-6-yl)-(4-morpholinophenyl)amine Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)Cl

Isomeric SMILES

C1CCC(CC1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)Cl

InChI

InChI=1S/C21H25ClN6O/c22-21-25-19(18-20(26-21)28(14-23-18)17-4-2-1-3-5-17)24-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h6-9,14,17H,1-5,10-13H2,(H,24,25,26)