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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: (4-ethylpiperazino)-[4-methyl-2-(piperonylamino)pyrimidin-5-yl]methanone Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N5O3/c1-3-24-6-8-25(9-7-24)19(26)16-12-22-20(23-14(16)2)21-11-15-4-5-17-18(10-15)28-13-27-17/h4-5,10,12H,3,6-9,11,13H2,1-2H3,(H,21,22,23)