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

Systemtic Name: [5-(6-azanyl-9-cyclopropyl-purin-8-yl)furan-2-yl]phosphonic acid Openeye Name: [5-(6-amino-9-cyclopropyl-purin-8-yl)-2-furyl]phosphonic acid CAS Name: [5-(6-amino-9-cyclopropyl-8-purinyl)-2-furanyl]phosphonic acid IUPAC Name: [5-(6-amino-9-cyclopropylpurin-8-yl)furan-2-yl]phosphonic acid Traditional Name: [5-(6-amino-9-cyclopropyl-purin-8-yl)-2-furyl]phosphonic acid Formula: C12H12N5O4P MolecularWeight: 321.228541

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)P(=O)(O)O

Isomeric SMILES

C1CC1N2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)P(=O)(O)O

InChI

InChI=1S/C12H12N5O4P/c13-10-9-12(15-5-14-10)17(6-1-2-6)11(16-9)7-3-4-8(21-7)22(18,19)20/h3-6H,1-2H2,(H2,13,14,15)(H2,18,19,20)