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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C)N1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-3-12(2)24-19(13-8-10-14(22)11-9-13)23-20-17(21(24)26)18(25)15-6-4-5-7-16(15)27-20/h4-12H,3H2,1-2H3