2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]ethanone Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)N

InChI

InChI=1S/C20H23N5O4S/c1-13-10-17(21)23-20(22-13)30-12-18(26)24-6-8-25(9-7-24)19(27)16-11-28-14-4-2-3-5-15(14)29-16/h2-5,10,16H,6-9,11-12H2,1H3,(H2,21,22,23)