8-(4-ethanoylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(4-ethanoylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(4-acetylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(4-acetyl-1-piperazinyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(4-acetylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(4-acetylpiperazino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H26N6O3/c1-15(28)25-11-13-26(14-12-25)20-22-18-17(19(29)23-21(30)24(18)2)27(20)10-6-9-16-7-4-3-5-8-16/h3-5,7-8H,6,9-14H2,1-2H3,(H,23,29,30)