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

Systemtic Name: 3-cyclopentyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-cyclopentyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-cyclopentyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-cyclopentyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-cyclopentyl-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c26-19-16-7-3-4-8-17(16)30-21-18(19)22(27)24(14-5-1-2-6-14)20(23-21)13-9-11-15(12-10-13)25(28)29/h3-4,7-12,14H,1-2,5-6H2