N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O3S2/c1-12-17(20(27-2)23-18(22-12)16-8-5-9-28-16)19(24)21-10-13-11-25-14-6-3-4-7-15(14)26-13/h3-9,13H,10-11H2,1-2H3,(H,21,24)/t13-/m0/s1