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

Systemtic Name: [5-[6-azanyl-9-(2-methylpropyl)-2-methylsulfanyl-purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(6-amino-9-isobutyl-2-methylsulfanyl-purin-8-yl)-2-furyl]phosphonic acid CAS Name: [5-[6-amino-9-(2-methylpropyl)-2-(methylthio)-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(2-methylpropyl)-2-methylsulfanylpurin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-amino-9-isobutyl-2-(methylthio)purin-8-yl]-2-furyl]phosphonic acid Formula: C14H18N5O4PS MolecularWeight: 383.362581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)SC)N)N=C1C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)SC)N)N=C1C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C14H18N5O4PS/c1-7(2)6-19-12(8-4-5-9(23-8)24(20,21)22)16-10-11(15)17-14(25-3)18-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,17,18)(H2,20,21,22)