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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-3-oxidanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[[2-(1-imidazolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]propanamide Traditional Name: 3-hydroxy-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-N-piperonyl-propionamide Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C18H18N6O4/c25-9-13(22-16-3-4-20-18(23-16)24-6-5-19-10-24)17(26)21-8-12-1-2-14-15(7-12)28-11-27-14/h1-7,10,13,25H,8-9,11H2,(H,21,26)(H,20,22,23)