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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-methyl-2-(piperonylamino)pyrimidin-5-yl]-(4-phenylpiperazino)methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3/c1-17-20(23(30)29-11-9-28(10-12-29)19-5-3-2-4-6-19)15-26-24(27-17)25-14-18-7-8-21-22(13-18)32-16-31-21/h2-8,13,15H,9-12,14,16H2,1H3,(H,25,26,27)