N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]ethanesulfonamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]ethanesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-yl-pyrimidin-5-yl]ethanesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(1-imidazolyl)-5-pyrimidinyl]ethanesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-imidazol-1-ylpyrimidin-5-yl]ethanesulfonamide Traditional Name: N-[2-imidazol-1-yl-4-(piperonylamino)pyrimidin-5-yl]ethanesulfonamide Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4C=CN=C4

Isomeric SMILES

CCS(=O)(=O)NC1=CN=C(N=C1NCC2=CC3=C(C=C2)OCO3)N4C=CN=C4

InChI

InChI=1S/C17H18N6O4S/c1-2-28(24,25)22-13-9-20-17(23-6-5-18-10-23)21-16(13)19-8-12-3-4-14-15(7-12)27-11-26-14/h3-7,9-10,22H,2,8,11H2,1H3,(H,19,20,21)