6-(2,2-diphenylethylamino)-9-(oxan-2-yl)-N-(2-piperidin-1-ylethyl)purine-2-carboxamide

Systemtic Name: 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)-N-(2-piperidin-1-ylethyl)purine-2-carboxamide Openeye Name: 6-(2,2-diphenylethylamino)-N-[2-(1-piperidyl)ethyl]-9-tetrahydropyran-2-yl-purine-2-carboxamide CAS Name: 6-(2,2-diphenylethylamino)-9-(2-oxanyl)-N-[2-(1-piperidinyl)ethyl]-2-purinecarboxamide IUPAC Name: 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)-N-(2-piperidin-1-ylethyl)purine-2-carboxamide Traditional Name: 6-(2,2-diphenylethylamino)-N-(2-piperidinoethyl)-9-tetrahydropyran-2-yl-purine-2-carboxamide Formula: C32H39N7O2 MolecularWeight: 553.69776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6CCCCO6

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6CCCCO6

InChI

InChI=1S/C32H39N7O2/c40-32(33-17-20-38-18-9-3-10-19-38)30-36-29(28-31(37-30)39(23-35-28)27-16-8-11-21-41-27)34-22-26(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-2,4-7,12-15,23,26-27H,3,8-11,16-22H2,(H,33,40)(H,34,36,37)