3-methyl-7-(2-methylpropyl)-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-isobutyl-3-methyl-xanthine Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H19N5O2/c1-5-6-14-12-15-10-9(18(12)7-8(2)3)11(19)16-13(20)17(10)4/h5,8H,1,6-7H2,2-4H3,(H,14,15)(H,16,19,20)