2-[4-azanyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-azanyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-2-thieno[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)N)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-26-15-9-7-13(8-10-15)16-11-27-20-18(16)19(22)23-21(24-20)28-12-17(25)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,22,23,24)