[[[5-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-butyl-phosphonamidic acid

Systemtic Name: [[[5-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-butyl-phosphonamidic acid Openeye Name: [[[5-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-butyl-phosphonamidic acid CAS Name: [[[5-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxy-4-methoxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-butylphosphonamidic acid IUPAC Name: [[[5-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-butylphosphonamidic acid Traditional Name: [[[5-(2-amino-6-keto-3H-purin-7-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-butyl-phosphonamidic acid Formula: C15H27N6O13P3 MolecularWeight: 592.328563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2C(=O)N=C(N3)N)OC)O

Isomeric SMILES

CCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2C(=O)N=C(N3)N)OC)O

InChI

InChI=1S/C15H27N6O13P3/c1-3-4-5-18-35(24,25)33-37(28,29)34-36(26,27)31-6-8-10(22)11(30-2)14(32-8)21-7-17-12-9(21)13(23)20-15(16)19-12/h7-8,10-11,14,22H,3-6H2,1-2H3,(H,26,27)(H,28,29)(H2,18,24,25)(H3,16,19,20,23)