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

Systemtic Name: 2-(3-bromophenyl)-3-butan-2-yl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(3-bromophenyl)-3-sec-butyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-bromophenyl)-3-butan-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(3-bromophenyl)-3-butan-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(3-bromophenyl)-3-sec-butyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2S/c1-3-12(2)24-19(13-7-6-8-14(22)11-13)23-20-17(21(24)26)18(25)15-9-4-5-10-16(15)27-20/h4-12H,3H2,1-2H3