6-[2,2-bis(3-methylphenyl)ethylamino]-9-[5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-[2-(2-piperidin-1-ylethylcarbamoylamino)ethyl]purine-2-carboxamide

Systemtic Name: 6-[2,2-bis(3-methylphenyl)ethylamino]-9-[5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-[2-(2-piperidin-1-ylethylcarbamoylamino)ethyl]purine-2-carboxamide Openeye Name: 6-[2,2-bis(m-tolyl)ethylamino]-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-N-[2-[2-(1-piperidyl)ethylcarbamoylamino]ethyl]purine-2-carboxamide CAS Name: 6-[2,2-bis(3-methylphenyl)ethylamino]-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-N-[2-[[oxo-[2-(1-piperidinyl)ethylamino]methyl]amino]ethyl]-2-purinecarboxamide IUPAC Name: 6-[2,2-bis(3-methylphenyl)ethylamino]-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-(2-piperidin-1-ylethylcarbamoylamino)ethyl]purine-2-carboxamide Traditional Name: 6-[2,2-bis(m-tolyl)ethylamino]-9-[5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-N-[2-(2-piperidinoethylcarbamoylamino)ethyl]purine-2-carboxamide Formula: C39H52N10O6 MolecularWeight: 756.89358

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC(=C4)C)C5=CC=CC(=C5)C)C(=O)NCCNC(=O)NCCN6CCCCC6)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC(=C4)C)C5=CC=CC(=C5)C)C(=O)NCCNC(=O)NCCN6CCCCC6)O)O

InChI

InChI=1S/C39H52N10O6/c1-4-40-36(52)32-30(50)31(51)38(55-32)49-23-45-29-33(44-22-28(26-12-8-10-24(2)20-26)27-13-9-11-25(3)21-27)46-34(47-35(29)49)37(53)41-14-15-42-39(54)43-16-19-48-17-6-5-7-18-48/h8-13,20-21,23,28,30-32,38,50-51H,4-7,14-19,22H2,1-3H3,(H,40,52)(H,41,53)(H2,42,43,54)(H,44,46,47)