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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H19N5O2/c1-6-7-14-12-15-10-9(18(12)8(2)3)11(19)17(5)13(20)16(10)4/h6,8H,1,7H2,2-5H3,(H,14,15)