4-azanyl-2-[2-oxidanylidene-2-[2-oxidanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[2-oxidanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[2-keto-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H13F3N6O2S MolecularWeight: 422.38433

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC=C(C(=N3)N)C#N)C(F)(F)F

Isomeric SMILES

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC=C(C(=N3)N)C#N)C(F)(F)F

InChI

InChI=1S/C17H13F3N6O2S/c18-17(19,20)12-5-13(27)24-10-3-1-2-4-11(10)26(12)14(28)8-29-16-23-7-9(6-21)15(22)25-16/h1-4,7,12H,5,8H2,(H,24,27)(H2,22,23,25)