3-methyl-7-pentyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-amyl-3-methyl-xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O2/c1-4-6-7-9-19-10-11(16-13(19)15-8-5-2)18(3)14(21)17-12(10)20/h5H,2,4,6-9H2,1,3H3,(H,15,16)(H,17,20,21)