3-cyclopropyl-1-methyl-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-1-methyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-cyclopropyl-1-methyl-purine-2,6-dione CAS Name: 3-cyclopropyl-1-methyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-1-methyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-cyclopropyl-1-methyl-xanthine Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)C

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)C

InChI

InChI=1S/C12H14N4O3/c1-7(17)5-15-6-13-10-9(15)11(18)14(2)12(19)16(10)8-3-4-8/h6,8H,3-5H2,1-2H3