8-(butan-2-ylamino)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(butan-2-ylamino)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(sec-butylamino)xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H21N5O2/c1-6-8-19-10-11(16-13(19)15-9(3)7-2)17(4)14(21)18(5)12(10)20/h6,9H,1,7-8H2,2-5H3,(H,15,16)