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

Systemtic Name: 7-ethyl-3-methyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[4-(1-oxopropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(4-propionylpiperazino)xanthine Formula: C15H22N6O3 MolecularWeight: 334.37358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CC)C(=O)NC(=O)N3C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CC)C(=O)NC(=O)N3C

InChI

InChI=1S/C15H22N6O3/c1-4-10(22)19-6-8-20(9-7-19)14-16-12-11(21(14)5-2)13(23)17-15(24)18(12)3/h4-9H2,1-3H3,(H,17,23,24)