1-[4-(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid

Systemtic Name: 1-[4-(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid Openeye Name: 1-[4-(2-amino-6-chloro-3,6-dihydropurin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid CAS Name: 1-[4-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-cyclopent-2-enyl]ethylphosphonic acid IUPAC Name: 1-[4-(2-amino-6-chloro-3,6-dihydropurin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid Traditional Name: 1-[4-(2-amino-6-chloro-3,6-dihydropurin-9-yl)cyclopent-2-en-1-yl]ethylphosphonic acid Formula: C12H17ClN5O3P MolecularWeight: 345.721841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(C=C1)N2C=NC3=C2NC(=NC3Cl)N)P(=O)(O)O

Isomeric SMILES

CC(C1CC(C=C1)N2C=NC3=C2NC(=NC3Cl)N)P(=O)(O)O

InChI

InChI=1S/C12H17ClN5O3P/c1-6(22(19,20)21)7-2-3-8(4-7)18-5-15-9-10(13)16-12(14)17-11(9)18/h2-3,5-8,10H,4H2,1H3,(H3,14,16,17)(H2,19,20,21)