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

Systemtic Name: 3-cyclopropyl-7-methyl-1-(3-oxidanylidenebutyl)purine-2,6-dione Openeye Name: 3-cyclopropyl-7-methyl-1-(3-oxobutyl)purine-2,6-dione CAS Name: 3-cyclopropyl-7-methyl-1-(3-oxobutyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-7-methyl-1-(3-oxobutyl)purine-2,6-dione Traditional Name: 3-cyclopropyl-1-(3-ketobutyl)-7-methyl-xanthine Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C3CC3

Isomeric SMILES

CC(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C3CC3

InChI

InChI=1S/C13H16N4O3/c1-8(18)5-6-16-12(19)10-11(14-7-15(10)2)17(13(16)20)9-3-4-9/h7,9H,3-6H2,1-2H3