[4-(2-azanyl-6-chloranyl-purin-9-yl)-1-phenyl-butyl]phosphonic acid

Systemtic Name: [4-(2-azanyl-6-chloranyl-purin-9-yl)-1-phenyl-butyl]phosphonic acid Openeye Name: [4-(2-amino-6-chloro-purin-9-yl)-1-phenyl-butyl]phosphonic acid CAS Name: [4-(2-amino-6-chloro-9-purinyl)-1-phenylbutyl]phosphonic acid IUPAC Name: [4-(2-amino-6-chloropurin-9-yl)-1-phenylbutyl]phosphonic acid Traditional Name: [4-(2-amino-6-chloro-purin-9-yl)-1-phenyl-butyl]phosphonic acid Formula: C15H17ClN5O3P MolecularWeight: 381.753941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(N=C3Cl)N)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(N=C3Cl)N)P(=O)(O)O

InChI

InChI=1S/C15H17ClN5O3P/c16-13-12-14(20-15(17)19-13)21(9-18-12)8-4-7-11(25(22,23)24)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H2,17,19,20)(H2,22,23,24)