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

Systemtic Name: 3-(3-methylbutyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-isopentyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3-methylbutyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3-methylbutyl)-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-isoamyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C22H19N3O4S MolecularWeight: 421.46896

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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)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-13(2)10-11-24-20(14-6-5-7-15(12-14)25(28)29)23-21-18(22(24)27)19(26)16-8-3-4-9-17(16)30-21/h3-9,12-13H,10-11H2,1-2H3