2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2COC3=CC=CC=C3O2)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC[C@H]2COC3=CC=CC=C3O2)N

InChI

InChI=1S/C16H18N4O3S/c1-10-6-14(17)20-16(19-10)24-9-15(21)18-7-11-8-22-12-4-2-3-5-13(12)23-11/h2-6,11H,7-9H2,1H3,(H,18,21)(H2,17,19,20)/t11-/m0/s1