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

Systemtic Name: 1,3-bis(2-methylphenyl)-9-(oxan-2-yl)-2-sulfanylidene-purin-6-one Openeye Name: 1,3-bis(o-tolyl)-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one CAS Name: 1,3-bis(2-methylphenyl)-9-(2-oxanyl)-2-sulfanylidene-6-purinone IUPAC Name: 1,3-bis(2-methylphenyl)-9-(oxan-2-yl)-2-sulfanylidenepurin-6-one Traditional Name: 1,3-bis(o-tolyl)-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one Formula: C24H24N4O2S MolecularWeight: 432.53796

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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=CN3C5CCCCO5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3C5CCCCO5

InChI

InChI=1S/C24H24N4O2S/c1-16-9-3-5-11-18(16)27-22-21(25-15-26(22)20-13-7-8-14-30-20)23(29)28(24(27)31)19-12-6-4-10-17(19)2/h3-6,9-12,15,20H,7-8,13-14H2,1-2H3