1,3-dimethyl-7-[2-[2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[2-(5-methylisoxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[2-[(5-methyl-3-isoxazolyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[2-(5-methylisoxazole-3-carbonyl)pyrazolidin-1-yl]ethyl]-1,3-dimethyl-xanthine Formula: C17H19N7O5 MolecularWeight: 401.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN2C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN2C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H19N7O5/c1-10-7-11(19-29-10)15(26)24-6-4-5-23(24)12(25)8-22-9-18-14-13(22)16(27)21(3)17(28)20(14)2/h7,9H,4-6,8H2,1-3H3