1-(3-phosphonatopropyl)-7-propan-2-yl-3H-purine-2,6-dione

Systemtic Name: 1-(3-phosphonatopropyl)-7-propan-2-yl-3H-purine-2,6-dione Openeye Name: 7-isopropyl-1-(3-phosphonatopropyl)-3H-purine-2,6-dione CAS Name: 1-(3-phosphonatopropyl)-7-propan-2-yl-3H-purine-2,6-dione IUPAC Name: 1-(3-phosphonatopropyl)-7-propan-2-yl-3H-purine-2,6-dione Traditional Name: 7-isopropyl-1-(3-phosphonatopropyl)xanthine Formula: C11H15N4O5P-2 MolecularWeight: 314.234361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2)CCCP(=O)([O-])[O-]

Isomeric SMILES

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2)CCCP(=O)([O-])[O-]

InChI

InChI=1S/C11H17N4O5P/c1-7(2)15-6-12-9-8(15)10(16)14(11(17)13-9)4-3-5-21(18,19)20/h6-7H,3-5H2,1-2H3,(H,13,17)(H2,18,19,20)/p-2