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

Systemtic Name: 3-cyclopropyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-cyclopropyl-purine-2,6-dione CAS Name: 3-cyclopropyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-cyclopropyl-xanthine Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)NC(=O)N2C3CC3

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)NC(=O)N2C3CC3

InChI

InChI=1S/C11H12N4O3/c1-6(16)4-14-5-12-9-8(14)10(17)13-11(18)15(9)7-2-3-7/h5,7H,2-4H2,1H3,(H,13,17,18)