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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-ethyl-1,3-dimethyl-xanthine Formula: C12H17N5O2 MolecularWeight: 263.29568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H17N5O2/c1-5-7-13-11-14-9-8(17(11)6-2)10(18)16(4)12(19)15(9)3/h5H,1,6-7H2,2-4H3,(H,13,14)