2-[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CO4)C

InChI

InChI=1S/C21H19N3O2S/c1-14-15(2)24(11-17-9-6-10-26-17)20-19(14)21(23-13-22-20)27-12-18(25)16-7-4-3-5-8-16/h3-10,13H,11-12H2,1-2H3