2-[(6-azanyl-9-phenethyl-purin-8-yl)amino]ethylphosphonic acid

Systemtic Name: 2-[(6-azanyl-9-phenethyl-purin-8-yl)amino]ethylphosphonic acid Openeye Name: 2-[(6-amino-9-phenethyl-purin-8-yl)amino]ethylphosphonic acid CAS Name: 2-[(6-amino-9-phenethyl-8-purinyl)amino]ethylphosphonic acid IUPAC Name: 2-[(6-amino-9-phenethylpurin-8-yl)amino]ethylphosphonic acid Traditional Name: 2-[(6-amino-9-phenethyl-purin-8-yl)amino]ethylphosphonic acid Formula: C15H19N6O3P MolecularWeight: 362.323521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2NCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2NCCP(=O)(O)O

InChI

InChI=1S/C15H19N6O3P/c16-13-12-14(19-10-18-13)21(8-6-11-4-2-1-3-5-11)15(20-12)17-7-9-25(22,23)24/h1-5,10H,6-9H2,(H,17,20)(H2,16,18,19)(H2,22,23,24)