2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-3-(3-methylbutyl)-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-3-(3-methylbutyl)-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-isopentyl-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-5-methyl-3-(3-methylbutyl)-7-phenyl-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-3-(3-methylbutyl)-7-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-isoamyl-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C25H26FN3OS MolecularWeight: 435.556843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC4=CC(=CC=C4)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H26FN3OS/c1-17(2)12-13-29-24(30)23-22(21(15-28(23)3)19-9-5-4-6-10-19)27-25(29)31-16-18-8-7-11-20(26)14-18/h4-11,14-15,17H,12-13,16H2,1-3H3