1-(6-azanyl-2-phenethyl-7H-purin-8-yl)propylphosphonic acid

Systemtic Name: 1-(6-azanyl-2-phenethyl-7H-purin-8-yl)propylphosphonic acid Openeye Name: 1-(6-amino-2-phenethyl-7H-purin-8-yl)propylphosphonic acid CAS Name: 1-(6-amino-2-phenethyl-7H-purin-8-yl)propylphosphonic acid IUPAC Name: 1-(6-amino-2-phenethyl-7H-purin-8-yl)propylphosphonic acid Traditional Name: 1-(6-amino-2-phenethyl-7H-purin-8-yl)propylphosphonic acid Formula: C16H20N5O3P MolecularWeight: 361.335461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1)C(=NC(=N2)CCC3=CC=CC=C3)N)P(=O)(O)O

Isomeric SMILES

CCC(C1=NC2=C(N1)C(=NC(=N2)CCC3=CC=CC=C3)N)P(=O)(O)O

InChI

InChI=1S/C16H20N5O3P/c1-2-11(25(22,23)24)15-20-13-14(17)18-12(19-16(13)21-15)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,22,23,24)(H3,17,18,19,20,21)