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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-3-oxidanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]propanamide Traditional Name: 3-hydroxy-2-[(6-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/c25-8-13(23-16-6-17(22-9-21-16)24-4-3-19-10-24)18(26)20-7-12-1-2-14-15(5-12)28-11-27-14/h1-6,9-10,13,25H,7-8,11H2,(H,20,26)(H,21,22,23)