1-phenethyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione

Systemtic Name: 1-phenethyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione Openeye Name: 1-phenethyl-2-thioxo-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione CAS Name: 1-phenethyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione IUPAC Name: 1-phenethyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione Traditional Name: 1-phenethyl-2-thioxo-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-quinone Formula: C16H12F6N4O2S MolecularWeight: 438.347499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(NC(=O)N3)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(NC(=O)N3)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H12F6N4O2S/c17-15(18,19)14(16(20,21)22)9-10(23-12(28)25-14)26(13(29)24-11(9)27)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,23,25,28)(H,24,27,29)