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2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide
2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide
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Descriptors Computed from Structure
Canonical SMILES:
CCCCNC1=NC(=NC2=CC=CC=C21)SC(CC)C(=O)NCC3=CN=CC=C3
Isomeric SMILES
CCCCNC1=NC(=NC2=CC=CC=C21)SC(CC)C(=O)NCC3=CN=CC=C3
InChI
InChI=1S/C22H27N5OS/c1-3-5-13-24-20-17-10-6-7-11-18(17)26-22(27-20)29-19(4-2)21(28)25-15-16-9-8-12-23-14-16/h6-12,14,19H,3-5,13,15H2,1-2H3,(H,25,28)(H,24,26,27)
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