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

Systemtic Name: 3-methyl-7-octyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-3-methyl-7-octyl-xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27N5O2/c1-4-6-7-8-9-10-12-22-13-14(19-16(22)18-11-5-2)21(3)17(24)20-15(13)23/h5H,2,4,6-12H2,1,3H3,(H,18,19)(H,20,23,24)