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

Systemtic Name: 3-butan-2-yl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(4-nitrophenyl)-3-sec-butyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-butan-2-yl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-butan-2-yl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(4-nitrophenyl)-3-sec-butyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-3-12(2)23-19(13-8-10-14(11-9-13)24(27)28)22-20-17(21(23)26)18(25)15-6-4-5-7-16(15)29-20/h4-12H,3H2,1-2H3