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

Systemtic Name: 2-(4-chlorophenyl)-3-(2-methylpropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(4-chlorophenyl)-3-isobutyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(4-chlorophenyl)-3-(2-methylpropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(4-chlorophenyl)-3-(2-methylpropyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(4-chlorophenyl)-3-isobutyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)CN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-12(2)11-24-19(13-7-9-14(22)10-8-13)23-20-17(21(24)26)18(25)15-5-3-4-6-16(15)27-20/h3-10,12H,11H2,1-2H3