[(3aR,4R,6R,6aR)-4-[6-(butylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate

Systemtic Name: [(3aR,4R,6R,6aR)-4-[6-(butylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate Openeye Name: [(3aR,4R,6R,6aR)-4-[6-(butylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate CAS Name: [(3aR,4R,6R,6aR)-4-[6-[[butylamino(oxo)methyl]amino]-9-purinyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate IUPAC Name: [(3aR,4R,6R,6aR)-4-[6-(butylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate Traditional Name: [(3aR,4R,6R,6aR)-4-[6-(butylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate Formula: C22H27N6O8P MolecularWeight: 534.458941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC=NC2=C1N=CN2C3C4C(C(O3)COP(=O)(O)O)OC(O4)C5=CC=CC=C5

Isomeric SMILES

CCCCNC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC(O4)C5=CC=CC=C5

InChI

InChI=1S/C22H27N6O8P/c1-2-3-9-23-22(29)27-18-15-19(25-11-24-18)28(12-26-15)20-17-16(14(34-20)10-33-37(30,31)32)35-21(36-17)13-7-5-4-6-8-13/h4-8,11-12,14,16-17,20-21H,2-3,9-10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/t14-,16-,17-,20-,21?/m1/s1