2-cyclohexyl-N-[[(2R,3S,4R,5R)-5-[6-(naphthalen-1-ylmethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-cyclohexyl-N-[[(2R,3S,4R,5R)-5-[6-(naphthalen-1-ylmethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide Openeye Name: 2-cyclohexyl-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(1-naphthylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-cyclohexyl-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(1-naphthalenylmethylamino)-9-purinyl]-2-oxolanyl]methyl]acetamide IUPAC Name: 2-cyclohexyl-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl]acetamide Traditional Name: 2-cyclohexyl-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(1-naphthylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl]acetamide Formula: C29H34N6O4 MolecularWeight: 530.61806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NCC2C(C(C(O2)N3C=NC4=C3N=CN=C4NCC5=CC=CC6=CC=CC=C65)O)O

Isomeric SMILES

C1CCC(CC1)CC(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4NCC5=CC=CC6=CC=CC=C65)O)O

InChI

InChI=1S/C29H34N6O4/c36-23(13-18-7-2-1-3-8-18)30-15-22-25(37)26(38)29(39-22)35-17-34-24-27(32-16-33-28(24)35)31-14-20-11-6-10-19-9-4-5-12-21(19)20/h4-6,9-12,16-18,22,25-26,29,37-38H,1-3,7-8,13-15H2,(H,30,36)(H,31,32,33)/t22-,25-,26-,29-/m1/s1