(3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-N-(8-azanyloctyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Systemtic Name: (3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-N-(8-azanyloctyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Openeye Name: (3aR,4R,6S,6aS)-N-(8-aminooctyl)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide CAS Name: (3aR,4R,6S,6aS)-N-(8-aminooctyl)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide IUPAC Name: (3aR,4R,6S,6aS)-N-(8-aminooctyl)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Traditional Name: (3aR,4R,6S,6aS)-4-adenin-9-yl-N-(8-aminooctyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Formula: C21H33N7O4 MolecularWeight: 447.53122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(OC2C(=O)NCCCCCCCCN)N3C=NC4=C3N=CN=C4N)C

Isomeric SMILES

CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NCCCCCCCCN)N3C=NC4=C3N=CN=C4N)C

InChI

InChI=1S/C21H33N7O4/c1-21(2)31-14-15(19(29)24-10-8-6-4-3-5-7-9-22)30-20(16(14)32-21)28-12-27-13-17(23)25-11-26-18(13)28/h11-12,14-16,20H,3-10,22H2,1-2H3,(H,24,29)(H2,23,25,26)/t14-,15+,16-,20-/m1/s1