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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O2/c1-5-7-15-13-16-11-10(19(13)8-6-9(2)3)12(20)17-14(21)18(11)4/h5,9H,1,6-8H2,2-4H3,(H,15,16)(H,17,20,21)