7-but-3-enyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-but-3-enyl-3-methyl-purine-2,6-dione Openeye Name: 7-but-3-enyl-3-methyl-purine-2,6-dione CAS Name: 7-but-3-enyl-3-methylpurine-2,6-dione IUPAC Name: 7-but-3-enyl-3-methylpurine-2,6-dione Traditional Name: 7-but-3-enyl-3-methyl-xanthine Formula: C10H12N4O2 MolecularWeight: 220.22788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCC=C

InChI

InChI=1S/C10H12N4O2/c1-3-4-5-14-6-11-8-7(14)9(15)12-10(16)13(8)2/h3,6H,1,4-5H2,2H3,(H,12,15,16)