6-(azepan-1-yl)-N-[1-(4-phenoxyphenyl)piperidin-4-yl]-7H-purin-2-amine

Systemtic Name: 6-(azepan-1-yl)-N-[1-(4-phenoxyphenyl)piperidin-4-yl]-7H-purin-2-amine Openeye Name: 6-(azepan-1-yl)-N-[1-(4-phenoxyphenyl)-4-piperidyl]-7H-purin-2-amine CAS Name: 6-(1-azepanyl)-N-[1-(4-phenoxyphenyl)-4-piperidinyl]-7H-purin-2-amine IUPAC Name: 6-(azepan-1-yl)-N-[1-(4-phenoxyphenyl)piperidin-4-yl]-7H-purin-2-amine Traditional Name: [6-(azepan-1-yl)-7H-purin-2-yl]-[1-(4-phenoxyphenyl)-4-piperidyl]amine Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2NC=N3)NC4CCN(CC4)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2NC=N3)NC4CCN(CC4)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H33N7O/c1-2-7-17-35(16-6-1)27-25-26(30-20-29-25)32-28(33-27)31-21-14-18-34(19-15-21)22-10-12-24(13-11-22)36-23-8-4-3-5-9-23/h3-5,8-13,20-21H,1-2,6-7,14-19H2,(H2,29,30,31,32,33)