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

Systemtic Name: 2-(4-chlorophenyl)-3-cyclopentyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(4-chlorophenyl)-3-cyclopentyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(4-chlorophenyl)-3-cyclopentylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(4-chlorophenyl)-3-cyclopentylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(4-chlorophenyl)-3-cyclopentyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H17ClN2O2S/c23-14-11-9-13(10-12-14)20-24-21-18(22(27)25(20)15-5-1-2-6-15)19(26)16-7-3-4-8-17(16)28-21/h3-4,7-12,15H,1-2,5-6H2