2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]aniline

Systemtic Name: 2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]aniline Openeye Name: 2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]aniline CAS Name: 2-[3-(2,4-dimethoxy-5-pyrimidinyl)prop-2-ynylthio]aniline IUPAC Name: 2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]aniline Traditional Name: [2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylthio]phenyl]amine Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C#CCSC2=CC=CC=C2N)OC

Isomeric SMILES

COC1=NC(=NC=C1C#CCSC2=CC=CC=C2N)OC

InChI

InChI=1S/C15H15N3O2S/c1-19-14-11(10-17-15(18-14)20-2)6-5-9-21-13-8-4-3-7-12(13)16/h3-4,7-8,10H,9,16H2,1-2H3