1-(6-azanyl-9-phenethyl-purin-8-yl)propan-2-ylphosphonous acid

Systemtic Name: 1-(6-azanyl-9-phenethyl-purin-8-yl)propan-2-ylphosphonous acid Openeye Name: [2-(6-amino-9-phenethyl-purin-8-yl)-1-methyl-ethyl]phosphonous acid CAS Name: 1-(6-amino-9-phenethyl-8-purinyl)propan-2-ylphosphonous acid IUPAC Name: 1-(6-amino-9-phenethylpurin-8-yl)propan-2-ylphosphonous acid Traditional Name: [2-(6-amino-9-phenethyl-purin-8-yl)-1-methyl-ethyl]phosphonous acid Formula: C16H20N5O2P MolecularWeight: 345.336061

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N)P(O)O

Isomeric SMILES

CC(CC1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N)P(O)O

InChI

InChI=1S/C16H20N5O2P/c1-11(24(22)23)9-13-20-14-15(17)18-10-19-16(14)21(13)8-7-12-5-3-2-4-6-12/h2-6,10-11,22-23H,7-9H2,1H3,(H2,17,18,19)