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

Systemtic Name: 3-(3,4-dimethylphenyl)-2-ethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-(3,4-dimethylphenyl)-2-ethyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 3-(3,4-dimethylphenyl)-2-ethylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 3-(3,4-dimethylphenyl)-2-ethylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-(3,4-dimethylphenyl)-2-ethyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H18N2O2S MolecularWeight: 362.44482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C21H18N2O2S/c1-4-17-22-20-18(19(24)15-7-5-6-8-16(15)26-20)21(25)23(17)14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3