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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: (4-methylpiperazino)-[4-methyl-2-(piperonylamino)pyrimidin-5-yl]methanone Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N5O3/c1-13-15(18(25)24-7-5-23(2)6-8-24)11-21-19(22-13)20-10-14-3-4-16-17(9-14)27-12-26-16/h3-4,9,11H,5-8,10,12H2,1-2H3,(H,20,21,22)