2-[4-(2-methoxyethylamino)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[4-(2-methoxyethylamino)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-[4-(2-methoxyethylamino)quinazolin-2-yl]sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 2-[[4-(2-methoxyethylamino)-2-quinazolinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-[4-(2-methoxyethylamino)quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NCCOC

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=N2)NCCOC

InChI

InChI=1S/C21H25N5O2S/c1-3-18(20(27)24-14-15-7-6-10-22-13-15)29-21-25-17-9-5-4-8-16(17)19(26-21)23-11-12-28-2/h4-10,13,18H,3,11-12,14H2,1-2H3,(H,24,27)(H,23,25,26)