1,3-dimethyl-8-(prop-2-enylamino)-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(prop-2-enylamino)-7-propyl-purine-2,6-dione Openeye Name: 8-(allylamino)-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(prop-2-enylamino)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(prop-2-enylamino)-7-propylpurine-2,6-dione Traditional Name: 8-(allylamino)-1,3-dimethyl-7-propyl-xanthine Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

InChI

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