[6-[2-(butanoylamino)-6-oxidanylidene-3H-purin-9-yl]-2-oxidanidyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

Systemtic Name: [6-[2-(butanoylamino)-6-oxidanylidene-3H-purin-9-yl]-2-oxidanidyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate Openeye Name: [6-[2-(butanoylamino)-6-oxo-3H-purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate CAS Name: butanoic acid [2-oxido-2-oxo-6-[6-oxo-2-(1-oxobutylamino)-3H-purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester IUPAC Name: [6-[2-(butanoylamino)-6-oxo-3H-purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate Traditional Name: butyric acid [6-(2-butyramido-6-keto-3H-purin-9-yl)-2-keto-2-oxido-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester Formula: C18H23N5O9P- MolecularWeight: 484.377081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)[O-])OC(=O)CCC

Isomeric SMILES

CCCC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)[O-])OC(=O)CCC

InChI

InChI=1S/C18H24N5O9P/c1-3-5-10(24)20-18-21-15-12(16(26)22-18)19-8-23(15)17-14(31-11(25)6-4-2)13-9(30-17)7-29-33(27,28)32-13/h8-9,13-14,17H,3-7H2,1-2H3,(H,27,28)(H2,20,21,22,24,26)/p-1