1,3-bis(4-methylphenyl)-9-(oxolan-2-yl)-2-sulfanylidene-purin-6-one

Systemtic Name: 1,3-bis(4-methylphenyl)-9-(oxolan-2-yl)-2-sulfanylidene-purin-6-one Openeye Name: 1,3-bis(p-tolyl)-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one CAS Name: 1,3-bis(4-methylphenyl)-9-(2-oxolanyl)-2-sulfanylidene-6-purinone IUPAC Name: 1,3-bis(4-methylphenyl)-9-(oxolan-2-yl)-2-sulfanylidenepurin-6-one Traditional Name: 1,3-bis(p-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=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)C)N=CN3C5CCCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)C)N=CN3C5CCCO5

InChI

InChI=1S/C23H22N4O2S/c1-15-5-9-17(10-6-15)26-21-20(24-14-25(21)19-4-3-13-29-19)22(28)27(23(26)30)18-11-7-16(2)8-12-18/h5-12,14,19H,3-4,13H2,1-2H3