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

Systemtic Name: 8-methyl-3-(2-methylpropyl)-1-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 1-allyl-3-isobutyl-8-methyl-7H-purine-2,6-dione CAS Name: 8-methyl-3-(2-methylpropyl)-1-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 8-methyl-3-(2-methylpropyl)-1-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 1-allyl-3-isobutyl-8-methyl-7H-purine-2,6-quinone Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CC=C

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CC=C

InChI

InChI=1S/C13H18N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,14,15)