N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-thiophen-2-yl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-thiophen-2-yl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-(2-thienyl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-3-thiophen-2-ylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-3-thiophen-2-ylpropanamide Traditional Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-piperonyl-3-(2-thienyl)propionamide Formula: C22H19ClN6O3S MolecularWeight: 482.94266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CC=CS3)NC4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CC=CS3)NC4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C22H19ClN6O3S/c23-19-10-20(28-22(27-19)29-6-5-24-12-29)26-16(9-15-2-1-7-33-15)21(30)25-11-14-3-4-17-18(8-14)32-13-31-17/h1-8,10,12,16H,9,11,13H2,(H,25,30)(H,26,27,28)