2-[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxyethyl phosphono hydrogen phosphate

Systemtic Name: 2-[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]oxyethyl phosphono hydrogen phosphate Openeye Name: 2-[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxyethyl phosphono hydrogen phosphate CAS Name: 2-[[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]oxy]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]oxyethyl phosphono hydrogen phosphate Traditional Name: 2-[(1S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]oxyethyl phosphono hydrogen phosphate Formula: C12H17N5O9P2 MolecularWeight: 437.239002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1OCCOP(=O)(O)OP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@H](C=C[C@H]1OCCOP(=O)(O)OP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H17N5O9P2/c13-12-15-10-9(11(18)16-12)14-6-17(10)7-1-2-8(5-7)24-3-4-25-28(22,23)26-27(19,20)21/h1-2,6-8H,3-5H2,(H,22,23)(H2,19,20,21)(H3,13,15,16,18)/t7-,8+/m0/s1