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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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