3-methyl-8-[methyl-[5-(piperidin-1-ylmethyl)furan-2-yl]amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[methyl-[5-(piperidin-1-ylmethyl)furan-2-yl]amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[methyl-[5-(1-piperidylmethyl)-2-furyl]amino]purine-2,6-dione CAS Name: 3-methyl-8-[methyl-[5-(1-piperidinylmethyl)-2-furanyl]amino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[methyl-[5-(piperidin-1-ylmethyl)furan-2-yl]amino]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[methyl-[5-(piperidinomethyl)-2-furyl]amino]xanthine Formula: C24H28N6O3 MolecularWeight: 448.51752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C3=CC=C(O3)CN4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C3=CC=C(O3)CN4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H28N6O3/c1-27(19-12-11-18(33-19)16-29-13-7-4-8-14-29)23-25-21-20(22(31)26-24(32)28(21)2)30(23)15-17-9-5-3-6-10-17/h3,5-6,9-12H,4,7-8,13-16H2,1-2H3,(H,26,31,32)