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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC=C)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC=C)NC=N2

InChI

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