[[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]-ethyl-amino]methylphosphonic acid

Systemtic Name: [[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]-ethyl-amino]methylphosphonic acid Openeye Name: [[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]-ethyl-amino]methylphosphonic acid CAS Name: [[1-[(2-amino-9-purinyl)methyl]cyclopropyl]-ethylamino]methylphosphonic acid IUPAC Name: [[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]-ethylamino]methylphosphonic acid Traditional Name: [[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]-ethyl-amino]methylphosphonic acid Formula: C12H19N6O3P MolecularWeight: 326.291421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CP(=O)(O)O)C1(CC1)CN2C=NC3=CN=C(N=C32)N

Isomeric SMILES

CCN(CP(=O)(O)O)C1(CC1)CN2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C12H19N6O3P/c1-2-18(8-22(19,20)21)12(3-4-12)6-17-7-15-9-5-14-11(13)16-10(9)17/h5,7H,2-4,6,8H2,1H3,(H2,13,14,16)(H2,19,20,21)