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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C25H17N3O4S MolecularWeight: 455.48518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C25H17N3O4S/c1-14-11-15(2)13-18(12-14)27-23(16-7-9-17(10-8-16)28(31)32)26-24-21(25(27)30)22(29)19-5-3-4-6-20(19)33-24/h3-13H,1-2H3