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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H19N5O2/c1-4-6-8-18-9-10(15-12(18)14-7-5-2)17(3)13(20)16-11(9)19/h5H,2,4,6-8H2,1,3H3,(H,14,15)(H,16,19,20)