1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-8-(morpholinomethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinylmethyl)-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 7-(2-keto-1-methyl-propyl)-1,3-dimethyl-8-(morpholinomethyl)xanthine Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3

Isomeric SMILES

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3

InChI

InChI=1S/C16H23N5O4/c1-10(11(2)22)21-12(9-20-5-7-25-8-6-20)17-14-13(21)15(23)19(4)16(24)18(14)3/h10H,5-9H2,1-4H3