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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2)C)N(C1=O)CC=C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2)C)N(C1=O)CC=C

InChI

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