1,3-bis(2-methylphenyl)-9-(oxolan-2-yl)-2-sulfanylidene-purin-6-one

Systemtic Name: 1,3-bis(2-methylphenyl)-9-(oxolan-2-yl)-2-sulfanylidene-purin-6-one Openeye Name: 1,3-bis(o-tolyl)-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one CAS Name: 1,3-bis(2-methylphenyl)-9-(2-oxolanyl)-2-sulfanylidene-6-purinone IUPAC Name: 1,3-bis(2-methylphenyl)-9-(oxolan-2-yl)-2-sulfanylidenepurin-6-one Traditional Name: 1,3-bis(o-tolyl)-9-(tetrahydrofuryl)-2-thioxo-purin-6-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3C5CCCO5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3C5CCCO5

InChI

InChI=1S/C23H22N4O2S/c1-15-8-3-5-10-17(15)26-21-20(24-14-25(21)19-12-7-13-29-19)22(28)27(23(26)30)18-11-6-4-9-16(18)2/h3-6,8-11,14,19H,7,12-13H2,1-2H3