3-butyl-7-(furan-2-ylmethyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-[2-oxo-2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-(2-oxo-2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-(2-keto-2-piperidino-ethyl)xanthine Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCCC3)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCCC3)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C21H27N5O4/c1-2-3-11-25-19-18(24(15-22-19)13-16-8-7-12-30-16)20(28)26(21(25)29)14-17(27)23-9-5-4-6-10-23/h7-8,12,15H,2-6,9-11,13-14H2,1H3