1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H21N3O2S2/c1-12-9-15(13(2)21(12)6-4-7-23-3)16(22)10-25-18-14-5-8-24-17(14)19-11-20-18/h5,8-9,11H,4,6-7,10H2,1-3H3