3-butyl-7-(2-methylpropyl)-8-(3-oxidanylidene-3-piperidin-1-yl-propyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-(3-oxidanylidene-3-piperidin-1-yl-propyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-oxo-3-(1-piperidyl)propyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-(1-piperidinyl)propyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-(3-oxo-3-piperidin-1-ylpropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-(3-keto-3-piperidino-propyl)xanthine Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCCC3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCCCC3)CC(C)C

InChI

InChI=1S/C21H33N5O3/c1-4-5-13-25-19-18(20(28)23-21(25)29)26(14-15(2)3)16(22-19)9-10-17(27)24-11-7-6-8-12-24/h15H,4-14H2,1-3H3,(H,23,28,29)