[4-[3-(2,5-dimethylphenyl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-[3-(2,5-dimethylphenyl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Openeye Name: [4-[3-(2,5-dimethylphenyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methanamine CAS Name: [4-[3-(2,5-dimethylphenyl)phenyl]-1-(7H-purin-6-yl)-4-piperidinyl]methanamine IUPAC Name: [4-[3-(2,5-dimethylphenyl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Traditional Name: [4-[3-(2,5-dimethylphenyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methylamine Formula: C25H28N6 MolecularWeight: 412.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

InChI

InChI=1S/C25H28N6/c1-17-6-7-18(2)21(12-17)19-4-3-5-20(13-19)25(14-26)8-10-31(11-9-25)24-22-23(28-15-27-22)29-16-30-24/h3-7,12-13,15-16H,8-11,14,26H2,1-2H3,(H,27,28,29,30)