azepan-1-yl-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]methanone

Systemtic Name: azepan-1-yl-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]methanone Openeye Name: azepan-1-yl-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]methanone CAS Name: 1-azepanyl-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]methanone IUPAC Name: azepan-1-yl-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]methanone Traditional Name: azepan-1-yl-[4-methyl-2-(piperonylamino)pyrimidin-5-yl]methanone Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCCCCC2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCCCCC2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O3/c1-14-16(19(25)24-8-4-2-3-5-9-24)12-22-20(23-14)21-11-15-6-7-17-18(10-15)27-13-26-17/h6-7,10,12H,2-5,8-9,11,13H2,1H3,(H,21,22,23)