9-[4-(diethylamino)butyl]-2-methyl-8-phenyl-N-(phenylmethyl)purin-6-amine

Systemtic Name: 9-[4-(diethylamino)butyl]-2-methyl-8-phenyl-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-9-[4-(diethylamino)butyl]-2-methyl-8-phenyl-purin-6-amine CAS Name: 9-[4-(diethylamino)butyl]-2-methyl-8-phenyl-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-9-[4-(diethylamino)butyl]-2-methyl-8-phenylpurin-6-amine Traditional Name: 4-[6-(benzylamino)-2-methyl-8-phenyl-purin-9-yl]butyl-diethyl-amine Formula: C27H34N6 MolecularWeight: 442.59906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCN1C2=C(C(=NC(=N2)C)NCC3=CC=CC=C3)N=C1C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCCCN1C2=C(C(=NC(=N2)C)NCC3=CC=CC=C3)N=C1C4=CC=CC=C4

InChI

InChI=1S/C27H34N6/c1-4-32(5-2)18-12-13-19-33-26(23-16-10-7-11-17-23)31-24-25(29-21(3)30-27(24)33)28-20-22-14-8-6-9-15-22/h6-11,14-17H,4-5,12-13,18-20H2,1-3H3,(H,28,29,30)