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

Systemtic Name: 3-butyl-1-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 1-allyl-3-butyl-7H-purine-2,6-dione CAS Name: 3-butyl-1-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 1-allyl-3-butyl-7H-purine-2,6-quinone Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2/c1-3-5-7-15-10-9(13-8-14-10)11(17)16(6-4-2)12(15)18/h4,8H,2-3,5-7H2,1H3,(H,13,14)