3-methyl-7-pent-4-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-pent-4-enyl-purine-2,6-dione Openeye Name: 3-methyl-7-pent-4-enyl-purine-2,6-dione CAS Name: 3-methyl-7-pent-4-enylpurine-2,6-dione IUPAC Name: 3-methyl-7-pent-4-enylpurine-2,6-dione Traditional Name: 3-methyl-7-pent-4-enyl-xanthine Formula: C11H14N4O2 MolecularWeight: 234.25446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O2/c1-3-4-5-6-15-7-12-9-8(15)10(16)13-11(17)14(9)2/h3,7H,1,4-6H2,2H3,(H,13,16,17)