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

Systemtic Name: 7-ethyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-ethyl-3-methyl-xanthine Formula: C11H15N5O2 MolecularWeight: 249.2691

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15N5O2/c1-4-6-12-10-13-8-7(16(10)5-2)9(17)14-11(18)15(8)3/h4H,1,5-6H2,2-3H3,(H,12,13)(H,14,17,18)