7-but-3-enoyl-9-propan-2-yl-3H-purine-2,8-dione

Systemtic Name: 7-but-3-enoyl-9-propan-2-yl-3H-purine-2,8-dione Openeye Name: 7-but-3-enoyl-9-isopropyl-3H-purine-2,8-dione CAS Name: 7-(1-oxobut-3-enyl)-9-propan-2-yl-3H-purine-2,8-dione IUPAC Name: 7-but-3-enoyl-9-propan-2-yl-3H-purine-2,8-dione Traditional Name: 7-but-3-enoyl-9-isopropyl-3H-purine-2,8-quinone Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)CC=C

Isomeric SMILES

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)CC=C

InChI

InChI=1S/C12H14N4O3/c1-4-5-9(17)16-8-6-13-11(18)14-10(8)15(7(2)3)12(16)19/h4,6-7H,1,5H2,2-3H3,(H,13,14,18)