[5-[6-azanyl-9-(2-cyclohexylethyl)purin-8-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[6-azanyl-9-(2-cyclohexylethyl)purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-amino-9-(2-cyclohexylethyl)purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-amino-9-(2-cyclohexylethyl)-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(2-cyclohexylethyl)purin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-amino-9-(2-cyclohexylethyl)purin-8-yl]-2-furyl]phosphonic acid Formula: C17H22N5O4P MolecularWeight: 391.361441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)CCN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)P(=O)(O)O

InChI

InChI=1S/C17H22N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h6-7,10-11H,1-5,8-9H2,(H2,18,19,20)(H2,23,24,25)