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

Systemtic Name: 3-(2-methylpropyl)-2-phenyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-isobutyl-2-phenyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(2-methylpropyl)-2-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(2-methylpropyl)-2-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-isobutyl-2-phenyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H18N2O2S MolecularWeight: 362.44482

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S/c1-13(2)12-23-19(14-8-4-3-5-9-14)22-20-17(21(23)25)18(24)15-10-6-7-11-16(15)26-20/h3-11,13H,12H2,1-2H3