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

Systemtic Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3S/c1-27-22-21(23(32)28(2)25(27)33)30(15-17-9-4-3-5-10-17)24(26-22)34-16-20(31)29-14-8-12-18-11-6-7-13-19(18)29/h3-7,9-11,13H,8,12,14-16H2,1-2H3