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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-oxidanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-hydroxy-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-3-hydroxypropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-3-hydroxypropanamide Traditional Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-3-hydroxy-N-piperonyl-propionamide Formula: C18H17ClN6O4 MolecularWeight: 416.81838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C18H17ClN6O4/c19-15-6-16(24-18(23-15)25-4-3-20-9-25)22-12(8-26)17(27)21-7-11-1-2-13-14(5-11)29-10-28-13/h1-6,9,12,26H,7-8,10H2,(H,21,27)(H,22,23,24)