8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-7-isobutyl-3-methyl-xanthine Formula: C16H26N6O2 MolecularWeight: 334.41664

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H26N6O2/c1-5-20-6-8-21(9-7-20)15-17-13-12(22(15)10-11(2)3)14(23)18-16(24)19(13)4/h11H,5-10H2,1-4H3,(H,18,23,24)