[[[5-[6-azanyl-8-(butylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[[5-[6-azanyl-8-(butylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[[5-[6-amino-8-(butylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: [[[5-[6-amino-8-(butylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[[5-[6-amino-8-(butylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: [[[5-[6-amino-8-(butylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C14H21N6O13P3-4 MolecularWeight: 574.270223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N=CN=C2N

Isomeric SMILES

CCCCNC1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N=CN=C2N

InChI

InChI=1S/C14H25N6O13P3/c1-2-3-4-16-14-19-8-11(15)17-6-18-12(8)20(14)13-10(22)9(21)7(31-13)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,21-22H,2-5H2,1H3,(H,16,19)(H,26,27)(H,28,29)(H2,15,17,18)(H2,23,24,25)/p-4