2-cyclopropyl-4-methyl-6-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-cyclopropyl-4-methyl-6-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-cyclopropyl-4-methyl-6-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-cyclopropyl-4-methyl-6-[[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 2-cyclopropyl-4-methyl-6-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 2-cyclopropyl-4-[[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]thio]-6-methyl-pyrimidine-5-carbonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=NC(=C3C#N)C)C4CC4

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=NC(=C3C#N)C)C4CC4

InChI

InChI=1S/C21H21N5O2S/c1-12-9-18(27)24-16-5-3-4-6-17(16)26(12)19(28)11-29-21-15(10-22)13(2)23-20(25-21)14-7-8-14/h3-6,12,14H,7-9,11H2,1-2H3,(H,24,27)