7-(cyclopropylmethyl)-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione

Systemtic Name: 7-(cyclopropylmethyl)-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 7-(cyclopropylmethyl)-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 7-(cyclopropylmethyl)-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 7-(cyclopropylmethyl)-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 7-(cyclopropylmethyl)-3-methyl-1-(4-phosphonatobutyl)xanthine Formula: C14H19N4O5P-2 MolecularWeight: 354.298221

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCP(=O)([O-])[O-])N(C=N2)CC3CC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCP(=O)([O-])[O-])N(C=N2)CC3CC3

InChI

InChI=1S/C14H21N4O5P/c1-16-12-11(17(9-15-12)8-10-4-5-10)13(19)18(14(16)20)6-2-3-7-24(21,22)23/h9-10H,2-8H2,1H3,(H2,21,22,23)/p-2