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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-methyl-2-(piperonylamino)pyrimidin-5-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O3/c1-15-17(20(30)28-7-9-29(10-8-28)22-23-5-2-6-24-22)13-26-21(27-15)25-12-16-3-4-18-19(11-16)32-14-31-18/h2-6,11,13H,7-10,12,14H2,1H3,(H,25,26,27)