(4aR,6R,7R,7aS)-6-[6-azanyl-8-[[azanyl(pentyl)amino]methyl]purin-9-yl]-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Systemtic Name: (4aR,6R,7R,7aS)-6-[6-azanyl-8-[[azanyl(pentyl)amino]methyl]purin-9-yl]-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Openeye Name: (4aR,6R,7R,7aS)-6-[6-amino-8-[[amino(pentyl)amino]methyl]purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol CAS Name: (4aR,6R,7R,7aS)-6-[6-amino-8-[[amino(pentyl)amino]methyl]-9-purinyl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol IUPAC Name: (4aR,6R,7R,7aS)-6-[6-amino-8-[[amino(pentyl)amino]methyl]purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Traditional Name: (4aR,6R,7R,7aS)-6-[6-amino-8-[[amino(amyl)amino]methyl]purin-9-yl]-2-hydroxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol Formula: C16H26N7O6P MolecularWeight: 443.394701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC2=C(N1C3C(C4C(O3)COP(=O)(O4)O)O)N=CN=C2N)N

Isomeric SMILES

CCCCCN(CC1=NC2=C(N1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CN=C2N)N

InChI

InChI=1S/C16H26N7O6P/c1-2-3-4-5-22(18)6-10-21-11-14(17)19-8-20-15(11)23(10)16-12(24)13-9(28-16)7-27-30(25,26)29-13/h8-9,12-13,16,24H,2-7,18H2,1H3,(H,25,26)(H2,17,19,20)/t9-,12-,13-,16-/m1/s1