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

Systemtic Name: sodium (4aR,6R,7R,7aS)-6-[6-azanyl-8-(methylamino)purin-9-yl]-2-oxidanidyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Openeye Name: sodium (4aR,6R,7R,7aS)-6-[6-amino-8-(methylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol CAS Name: sodium (4aR,6R,7R,7aS)-6-[6-amino-8-(methylamino)-9-purinyl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol IUPAC Name: sodium (4aR,6R,7R,7aS)-6-[6-amino-8-(methylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Traditional Name: sodium (4aR,6R,7R,7aS)-6-[6-amino-8-(methylamino)purin-9-yl]-2-keto-2-oxido-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol Formula: C11H14N6NaO6P MolecularWeight: 380.228991

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1C3C(C4C(O3)COP(=O)(O4)[O-])O)N=CN=C2N.[Na+]

Isomeric SMILES

CNC1=NC2=C(N1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])O)N=CN=C2N.[Na+]

InChI

InChI=1S/C11H15N6O6P.Na/c1-13-11-16-5-8(12)14-3-15-9(5)17(11)10-6(18)7-4(22-10)2-21-24(19,20)23-7;/h3-4,6-7,10,18H,2H2,1H3,(H,13,16)(H,19,20)(H2,12,14,15);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1