[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[bis(bromanyl)methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid

Systemtic Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[bis(bromanyl)methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid Openeye Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[dibromomethoxy(hydroxy)phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid CAS Name: [(1R,4S)-4-(6-aminopurin-9-yl)-1-cyclopent-2-enyl]oxymethyl-[[dibromomethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxyphosphinic acid IUPAC Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethyl-[[dibromomethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxyphosphinic acid Traditional Name: [(1R,4S)-4-adenin-9-ylcyclopent-2-en-1-yl]oxymethyl-[[dibromomethoxy(hydroxy)phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid Formula: C12H16Br2N5O10P3 MolecularWeight: 643.012223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1OCP(=O)(O)OP(=O)(O)OP(=O)(O)OC(Br)Br)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1[C@@H](C=C[C@@H]1OCP(=O)(O)OP(=O)(O)OP(=O)(O)OC(Br)Br)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H16Br2N5O10P3/c13-12(14)27-31(22,23)29-32(24,25)28-30(20,21)6-26-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8,12H,3,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,15,16,17)/t7-,8+/m1/s1