1,3-dimethyl-8-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1,3-dimethyl-7-propyl-xanthine Formula: C24H31N5O3S MolecularWeight: 469.59964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H31N5O3S/c1-4-12-29-20-21(26(2)24(32)27(3)22(20)31)25-23(29)33-16-19(30)28-13-10-18(11-14-28)15-17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3