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

Systemtic Name: [3-(6-azanyl-9-phenethyl-purin-8-yl)furan-2-yl]phosphonic acid Openeye Name: [3-(6-amino-9-phenethyl-purin-8-yl)-2-furyl]phosphonic acid CAS Name: [3-(6-amino-9-phenethyl-8-purinyl)-2-furanyl]phosphonic acid IUPAC Name: [3-(6-amino-9-phenethylpurin-8-yl)furan-2-yl]phosphonic acid Traditional Name: [3-(6-amino-9-phenethyl-purin-8-yl)-2-furyl]phosphonic acid Formula: C17H16N5O4P MolecularWeight: 385.313801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2C4=C(OC=C4)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2C4=C(OC=C4)P(=O)(O)O

InChI

InChI=1S/C17H16N5O4P/c18-14-13-16(20-10-19-14)22(8-6-11-4-2-1-3-5-11)15(21-13)12-7-9-26-17(12)27(23,24)25/h1-5,7,9-10H,6,8H2,(H2,18,19,20)(H2,23,24,25)