8-[(3-methylphenyl)methylsulfanyl]-9-[[(2R)-oxolan-2-yl]methyl]-3H-purin-6-one

Systemtic Name: 8-[(3-methylphenyl)methylsulfanyl]-9-[[(2R)-oxolan-2-yl]methyl]-3H-purin-6-one Openeye Name: 8-(m-tolylmethylsulfanyl)-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-3H-purin-6-one CAS Name: 8-[(3-methylphenyl)methylthio]-9-[[(2R)-2-oxolanyl]methyl]-3H-purin-6-one IUPAC Name: 8-[(3-methylphenyl)methylsulfanyl]-9-[[(2R)-oxolan-2-yl]methyl]-3H-purin-6-one Traditional Name: 8-[(3-methylbenzyl)thio]-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-3H-purin-6-one Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(N2CC4CCCO4)NC=NC3=O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(N2C[C@H]4CCCO4)NC=NC3=O

InChI

InChI=1S/C18H20N4O2S/c1-12-4-2-5-13(8-12)10-25-18-21-15-16(19-11-20-17(15)23)22(18)9-14-6-3-7-24-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,19,20,23)/t14-/m1/s1