[(E)-3-(6-azanyl-9-phenethyl-purin-8-yl)prop-2-enyl]phosphonic acid

Systemtic Name: [(E)-3-(6-azanyl-9-phenethyl-purin-8-yl)prop-2-enyl]phosphonic acid Openeye Name: [(E)-3-(6-amino-9-phenethyl-purin-8-yl)allyl]phosphonic acid CAS Name: [(E)-3-(6-amino-9-phenethyl-8-purinyl)prop-2-enyl]phosphonic acid IUPAC Name: [(E)-3-(6-amino-9-phenethylpurin-8-yl)prop-2-enyl]phosphonic acid Traditional Name: [(E)-3-(6-amino-9-phenethyl-purin-8-yl)allyl]phosphonic acid Formula: C16H18N5O3P MolecularWeight: 359.319581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N5O3P/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/h1-7,11H,8-10H2,(H2,17,18,19)(H2,22,23,24)/b7-4+