NMD
Summary
Name: | N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE |
Formula: | C30 H30 N6 O6 |
Formal charge: | 0 |
Formula weight: | 570.596 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2'-deoxy-2'-{[(3,5-dimethoxyphenyl)carbonyl]amino}-N-(naphthalen-1-ylmethyl)adenosine |
OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolan-3-yl]-3,5-dimethoxy-benzamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c(ncnc23)NCc5c4ccccc4ccc5)CO |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(OC)cc(c1)C(=O)N[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n3cnc4c(NCc5cccc6ccccc56)ncnc34 |
SMILES | CACTVS | 3.341 | COc1cc(OC)cc(c1)C(=O)N[CH]2[CH](O)[CH](CO)O[CH]2n3cnc4c(NCc5cccc6ccccc56)ncnc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1)OC)C(=O)NC2C(C(OC2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O |
InChI | InChI | 1.03 | InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1 |
InChIKey | InChI | 1.03 | OARVXDFNTLYMCJ-JVUUKAHWSA-N |