9-cyclopentyl-N-[2-(2-pentyl-3-phenyl-oxan-2-yl)piperidin-1-yl]-6H-purin-1-amine

Systemtic Name: 9-cyclopentyl-N-[2-(2-pentyl-3-phenyl-oxan-2-yl)piperidin-1-yl]-6H-purin-1-amine Openeye Name: 9-cyclopentyl-N-[2-(2-pentyl-3-phenyl-tetrahydropyran-2-yl)-1-piperidyl]-6H-purin-1-amine CAS Name: 9-cyclopentyl-N-[2-(2-pentyl-3-phenyl-2-oxanyl)-1-piperidinyl]-6H-purin-1-amine IUPAC Name: 9-cyclopentyl-N-[2-(2-pentyl-3-phenyloxan-2-yl)piperidin-1-yl]-6H-purin-1-amine Traditional Name: [2-(2-amyl-3-phenyl-tetrahydropyran-2-yl)piperidino]-(9-cyclopentyl-6H-purin-1-yl)amine Formula: C31H46N6O MolecularWeight: 518.73654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(CCCO1)C2=CC=CC=C2)C3CCCCN3NN4CC5=C(N=C4)N(C=N5)C6CCCC6

Isomeric SMILES

CCCCCC1(C(CCCO1)C2=CC=CC=C2)C3CCCCN3NN4CC5=C(N=C4)N(C=N5)C6CCCC6

InChI

InChI=1S/C31H46N6O/c1-2-3-10-19-31(27(17-12-21-38-31)25-13-5-4-6-14-25)29-18-9-11-20-37(29)34-35-22-28-30(33-23-35)36(24-32-28)26-15-7-8-16-26/h4-6,13-14,23-24,26-27,29,34H,2-3,7-12,15-22H2,1H3