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

Systemtic Name: 1-(cyclopropylmethyl)-7-(2-oxidanylidenepropyl)-3H-purine-2,6-dione Openeye Name: 7-acetonyl-1-(cyclopropylmethyl)-3H-purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-7-(2-oxopropyl)-3H-purine-2,6-dione IUPAC Name: 1-(cyclopropylmethyl)-7-(2-oxopropyl)-3H-purine-2,6-dione Traditional Name: 7-acetonyl-1-(cyclopropylmethyl)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)N2)CC3CC3

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2)CC3CC3

InChI

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