7,9-bis(bromanyl)-2-hexylsulfanyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 7,9-bis(bromanyl)-2-hexylsulfanyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 7,9-dibromo-2-hexylsulfanyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 7,9-dibromo-2-(hexylthio)-3H-[1]benzopyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 7,9-dibromo-2-hexylsulfanyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 7,9-dibromo-2-(hexylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-quinone Formula: C17H16Br2N2O3S MolecularWeight: 488.19354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)C3=CC(=CC(=C3O2)Br)Br)C(=O)N1

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)C3=CC(=CC(=C3O2)Br)Br)C(=O)N1

InChI

InChI=1S/C17H16Br2N2O3S/c1-2-3-4-5-6-25-17-20-15(23)12-13(22)10-7-9(18)8-11(19)14(10)24-16(12)21-17/h7-8H,2-6H2,1H3,(H,20,21,23)