1-(cyclopropylmethyl)-7-(3-oxidanylidenebutyl)-3H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2)CC3CC3

Isomeric SMILES

CC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2)CC3CC3

InChI

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