3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(piperidin-2-ylmethoxy)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(piperidin-2-ylmethoxy)purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(2-piperidylmethoxy)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(2-piperidinylmethoxy)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(piperidin-2-ylmethoxy)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(2-piperidylmethoxy)xanthine Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCC3CCCCN3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1OCC3CCCCN3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H31N5O4/c1-17(2)12-14-29-21-22(27-24(29)34-16-19-11-7-8-13-26-19)28(3)25(33)30(23(21)32)15-20(31)18-9-5-4-6-10-18/h4-6,9-10,12,19,26H,7-8,11,13-16H2,1-3H3