2-(2-methylphenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 2-(2-methylphenyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(o-tolyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(2-methylphenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(2-methylphenyl)-3-phenethylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(o-tolyl)-3-phenethyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C26H20N2O2S MolecularWeight: 424.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C26H20N2O2S/c1-17-9-5-6-12-19(17)24-27-25-22(23(29)20-13-7-8-14-21(20)31-25)26(30)28(24)16-15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3