1-methyl-7-(3-oxidanylpropyl)-8-piperidin-1-yl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-7-(3-oxidanylpropyl)-8-piperidin-1-yl-3H-purine-2,6-dione Openeye Name: 7-(3-hydroxypropyl)-1-methyl-8-(1-piperidyl)-3H-purine-2,6-dione CAS Name: 7-(3-hydroxypropyl)-1-methyl-8-(1-piperidinyl)-3H-purine-2,6-dione IUPAC Name: 7-(3-hydroxypropyl)-1-methyl-8-piperidin-1-yl-3H-purine-2,6-dione Traditional Name: 7-(3-hydroxypropyl)-1-methyl-8-piperidino-xanthine Formula: C14H21N5O3 MolecularWeight: 307.34824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2CCCO)N3CCCCC3

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2CCCO)N3CCCCC3

InChI

InChI=1S/C14H21N5O3/c1-17-12(21)10-11(16-14(17)22)15-13(19(10)8-5-9-20)18-6-3-2-4-7-18/h20H,2-9H2,1H3,(H,16,22)