3-butyl-8-methyl-1-prop-2-enyl-7H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC=C)NC(=N2)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC=C)NC(=N2)C

InChI

InChI=1S/C13H18N4O2/c1-4-6-8-16-11-10(14-9(3)15-11)12(18)17(7-5-2)13(16)19/h5H,2,4,6-8H2,1,3H3,(H,14,15)