3-butyl-2-cyclohexyl-thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 3-butyl-2-cyclohexyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-butyl-2-cyclohexyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-butyl-2-cyclohexylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-butyl-2-cyclohexylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-butyl-2-cyclohexyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4CCCCC4

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4CCCCC4

InChI

InChI=1S/C21H24N2O2S/c1-2-3-13-23-19(14-9-5-4-6-10-14)22-20-17(21(23)25)18(24)15-11-7-8-12-16(15)26-20/h7-8,11-12,14H,2-6,9-10,13H2,1H3