1-methyl-7-(2-oxidanylidenepropyl)-3-propyl-purine-2,6-dione

Systemtic Name: 1-methyl-7-(2-oxidanylidenepropyl)-3-propyl-purine-2,6-dione Openeye Name: 7-acetonyl-1-methyl-3-propyl-purine-2,6-dione CAS Name: 1-methyl-7-(2-oxopropyl)-3-propylpurine-2,6-dione IUPAC Name: 1-methyl-7-(2-oxopropyl)-3-propylpurine-2,6-dione Traditional Name: 7-acetonyl-1-methyl-3-propyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C

InChI

InChI=1S/C12H16N4O3/c1-4-5-16-10-9(11(18)14(3)12(16)19)15(7-13-10)6-8(2)17/h7H,4-6H2,1-3H3