2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-N-(3-morpholin-4-ylpropyl)-3-thiophen-2-yl-propanamide

Systemtic Name: 2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-N-(3-morpholin-4-ylpropyl)-3-thiophen-2-yl-propanamide Openeye Name: 2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-N-(3-morpholinopropyl)-3-(2-thienyl)propanamide CAS Name: 2-[[2-(1-imidazolyl)-4-pyrimidinyl]amino]-N-[3-(4-morpholinyl)propyl]-3-thiophen-2-ylpropanamide IUPAC Name: 2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-N-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylpropanamide Traditional Name: 2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-N-(3-morpholinopropyl)-3-(2-thienyl)propionamide Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C(CC2=CC=CS2)NC3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1COCCN1CCCNC(=O)C(CC2=CC=CS2)NC3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C21H27N7O2S/c29-20(23-5-2-8-27-10-12-30-13-11-27)18(15-17-3-1-14-31-17)25-19-4-6-24-21(26-19)28-9-7-22-16-28/h1,3-4,6-7,9,14,16,18H,2,5,8,10-13,15H2,(H,23,29)(H,24,25,26)