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

Systemtic Name: 3-(3-methylbutyl)-2-phenyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-isopentyl-2-phenyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3-methylbutyl)-2-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3-methylbutyl)-2-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-isoamyl-2-phenyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S/c1-14(2)12-13-24-20(15-8-4-3-5-9-15)23-21-18(22(24)26)19(25)16-10-6-7-11-17(16)27-21/h3-11,14H,12-13H2,1-2H3