[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid

Systemtic Name: [2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-[2-amino-6-(cyclopropylamino)-9-purinyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C13H22N6O8P2 MolecularWeight: 452.296702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C(COCP(=O)(O)O)COCP(=O)(O)O)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C(COCP(=O)(O)O)COCP(=O)(O)O)N

InChI

InChI=1S/C13H22N6O8P2/c14-13-17-11(16-8-1-2-8)10-12(18-13)19(5-15-10)9(3-26-6-28(20,21)22)4-27-7-29(23,24)25/h5,8-9H,1-4,6-7H2,(H2,20,21,22)(H2,23,24,25)(H3,14,16,17,18)