8-methyl-3-(3-methylbutyl)-1-prop-2-enyl-7H-purine-2,6-dione

Systemtic Name: 8-methyl-3-(3-methylbutyl)-1-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 1-allyl-3-isopentyl-8-methyl-7H-purine-2,6-dione CAS Name: 8-methyl-3-(3-methylbutyl)-1-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 8-methyl-3-(3-methylbutyl)-1-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 1-allyl-3-isoamyl-8-methyl-7H-purine-2,6-quinone Formula: C14H20N4O2 MolecularWeight: 276.3342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2CCC(C)C)CC=C

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2CCC(C)C)CC=C

InChI

InChI=1S/C14H20N4O2/c1-5-7-18-13(19)11-12(16-10(4)15-11)17(14(18)20)8-6-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,15,16)