3-(6-azanyl-9-phenethyl-purin-8-yl)propylphosphonic acid

Systemtic Name: 3-(6-azanyl-9-phenethyl-purin-8-yl)propylphosphonic acid Openeye Name: 3-(6-amino-9-phenethyl-purin-8-yl)propylphosphonic acid CAS Name: 3-(6-amino-9-phenethyl-8-purinyl)propylphosphonic acid IUPAC Name: 3-(6-amino-9-phenethylpurin-8-yl)propylphosphonic acid Traditional Name: 3-(6-amino-9-phenethyl-purin-8-yl)propylphosphonic acid Formula: C16H20N5O3P MolecularWeight: 361.335461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NC3=C2N=CN=C3N)CCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NC3=C2N=CN=C3N)CCCP(=O)(O)O

InChI

InChI=1S/C16H20N5O3P/c17-15-14-16(19-11-18-15)21(9-8-12-5-2-1-3-6-12)13(20-14)7-4-10-25(22,23)24/h1-3,5-6,11H,4,7-10H2,(H2,17,18,19)(H2,22,23,24)