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N-(2-cyano-3-methyl-butan-2-yl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide
N-(2-cyano-3-methyl-butan-2-yl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3
Isomeric SMILES
CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3
InChI
InChI=1S/C21H26N4O3S/c1-14(2)21(3,13-22)24-18(26)12-29-20-23-17-9-5-4-8-16(17)19(27)25(20)11-15-7-6-10-28-15/h4-5,8-9,14-15H,6-7,10-12H2,1-3H3,(H,24,26)
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