1-(azepan-1-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-ethanone Openeye Name: 1-(azepan-1-yl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]oxy-ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]oxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanone Traditional Name: 1-(azepan-1-yl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]oxy-ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O2S/c1-15-6-8-16(9-7-15)17-13-27-21-19(17)20(22-14-23-21)26-12-18(25)24-10-4-2-3-5-11-24/h6-9,13-14H,2-5,10-12H2,1H3