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

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-isoamyl-1,3-dimethyl-xanthine Formula: C15H23N5O2 MolecularWeight: 305.37542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O2/c1-6-8-16-14-17-12-11(20(14)9-7-10(2)3)13(21)19(5)15(22)18(12)4/h6,10H,1,7-9H2,2-5H3,(H,16,17)