3-methyl-8-(4-propanoylpiperazin-1-yl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-propanoylpiperazin-1-yl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-propanoylpiperazin-1-yl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(1-oxopropyl)-1-piperazinyl]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-propanoylpiperazin-1-yl)-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-(4-propionylpiperazino)-7-propyl-xanthine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)C(=O)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)C(=O)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N6O3/c1-4-6-22-12-13(19(3)16(25)18-14(12)24)17-15(22)21-9-7-20(8-10-21)11(23)5-2/h4-10H2,1-3H3,(H,18,24,25)