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

Systemtic Name: 2-(2-methylphenyl)-3-(phenylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-benzyl-2-(o-tolyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(2-methylphenyl)-3-(phenylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-benzyl-2-(2-methylphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-benzyl-2-(o-tolyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C25H18N2O2S MolecularWeight: 410.48762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C25H18N2O2S/c1-16-9-5-6-12-18(16)23-26-24-21(22(28)19-13-7-8-14-20(19)30-24)25(29)27(23)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3