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

Systemtic Name: [4-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidin-5-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carbonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: 2-furyl-[4-[4-methyl-2-(piperonylamino)pyrimidine-5-carbonyl]piperazino]methanone Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O5/c1-15-17(21(29)27-6-8-28(9-7-27)22(30)19-3-2-10-31-19)13-25-23(26-15)24-12-16-4-5-18-20(11-16)33-14-32-18/h2-5,10-11,13H,6-9,12,14H2,1H3,(H,24,25,26)