8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-9-[[(2R)-oxolan-2-yl]methyl]-3H-purin-6-one

Systemtic Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-9-[[(2R)-oxolan-2-yl]methyl]-3H-purin-6-one Openeye Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-3H-purin-6-one CAS Name: 8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-9-[[(2R)-2-oxolanyl]methyl]-3H-purin-6-one IUPAC Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-9-[[(2R)-oxolan-2-yl]methyl]-3H-purin-6-one Traditional Name: 8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-3H-purin-6-one Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=C(C(=O)N=CN3)N=C2SCC(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](OC1)CN2C3=C(C(=O)N=CN3)N=C2SCC(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C21H23N5O3S/c27-17(25-9-3-6-14-5-1-2-8-16(14)25)12-30-21-24-18-19(22-13-23-20(18)28)26(21)11-15-7-4-10-29-15/h1-2,5,8,13,15H,3-4,6-7,9-12H2,(H,22,23,28)/t15-/m1/s1