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

Systemtic Name: 7-hexyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-hexyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-hexyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-hexyl-1,3-dimethyl-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25N5O2/c1-5-7-8-9-11-21-12-13(18-15(21)17-10-6-2)19(3)16(23)20(4)14(12)22/h6H,2,5,7-11H2,1,3-4H3,(H,17,18)