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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-methyl-2-(piperonylamino)pyrimidin-5-yl]-[4-(2-pyridyl)piperazino]methanone Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=CC=N3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=CC=N3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N6O3/c1-16-18(22(30)29-10-8-28(9-11-29)21-4-2-3-7-24-21)14-26-23(27-16)25-13-17-5-6-19-20(12-17)32-15-31-19/h2-7,12,14H,8-11,13,15H2,1H3,(H,25,26,27)