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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl phosphono hydrogen phosphate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl phosphono hydrogen phosphate CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]methyl phosphono hydrogen phosphate IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl phosphono hydrogen phosphate Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl phosphono hydrogen phosphate Formula: C11H15N5O8P2 MolecularWeight: 407.213022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1C(C=CC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H15N5O8P2/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-23-26(21,22)24-25(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H2,18,19,20)(H3,12,14,15,17)