[5-[2-azanyl-5-(2-methylpropyl)pyrimidin-4-yl]furan-3-yl]phosphonic acid

Systemtic Name: [5-[2-azanyl-5-(2-methylpropyl)pyrimidin-4-yl]furan-3-yl]phosphonic acid Openeye Name: [5-(2-amino-5-isobutyl-pyrimidin-4-yl)-3-furyl]phosphonic acid CAS Name: [5-[2-amino-5-(2-methylpropyl)-4-pyrimidinyl]-3-furanyl]phosphonic acid IUPAC Name: [5-[2-amino-5-(2-methylpropyl)pyrimidin-4-yl]furan-3-yl]phosphonic acid Traditional Name: [5-(2-amino-5-isobutyl-pyrimidin-4-yl)-3-furyl]phosphonic acid Formula: C12H16N3O4P MolecularWeight: 297.246901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN=C(N=C1C2=CC(=CO2)P(=O)(O)O)N

Isomeric SMILES

CC(C)CC1=CN=C(N=C1C2=CC(=CO2)P(=O)(O)O)N

InChI

InChI=1S/C12H16N3O4P/c1-7(2)3-8-5-14-12(13)15-11(8)10-4-9(6-19-10)20(16,17)18/h4-7H,3H2,1-2H3,(H2,13,14,15)(H2,16,17,18)