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

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]pentanamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]pentanamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]pentanamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]pentanamide Traditional Name: 5-amino-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-piperonyl-valeramide Formula: C20H22ClN7O3 MolecularWeight: 443.88678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN7O3/c21-17-9-18(27-20(26-17)28-7-6-23-11-28)25-14(2-1-5-22)19(29)24-10-13-3-4-15-16(8-13)31-12-30-15/h3-4,6-9,11,14H,1-2,5,10,12,22H2,(H,24,29)(H,25,26,27)