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

Systemtic Name: 3-cyclopentyl-2-(2-methylphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-cyclopentyl-2-(o-tolyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-cyclopentyl-2-(2-methylphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-cyclopentyl-2-(2-methylphenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-cyclopentyl-2-(o-tolyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2C5CCCC5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4S3)C(=O)N2C5CCCC5

InChI

InChI=1S/C23H20N2O2S/c1-14-8-2-5-11-16(14)21-24-22-19(23(27)25(21)15-9-3-4-10-15)20(26)17-12-6-7-13-18(17)28-22/h2,5-8,11-13,15H,3-4,9-10H2,1H3