3-methyl-1-(2-methylpropyl)-5-phenylazanyl-4-sulfanylidene-6-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-2-one

Systemtic Name: 3-methyl-1-(2-methylpropyl)-5-phenylazanyl-4-sulfanylidene-6-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-2-one Openeye Name: 5-anilino-1-isobutyl-3-methyl-4-thioxo-6-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-2-one CAS Name: 5-anilino-3-methyl-1-(2-methylpropyl)-4-sulfanylidene-6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolo[3,4-d]pyrimidinone IUPAC Name: 5-anilino-3-methyl-1-(2-methylpropyl)-4-sulfanylidene-6-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-2-one Traditional Name: 5-anilino-1-isobutyl-3-methyl-4-thioxo-6-[4-(trifluoromethyl)benzyl]pyrrolo[3,4-d]pyrimidin-2-one Formula: C25H25F3N4OS MolecularWeight: 486.55241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)CN1C2=CN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H25F3N4OS/c1-16(2)13-32-20-15-31(14-17-9-11-18(12-10-17)25(26,27)28)22(29-19-7-5-4-6-8-19)21(20)23(34)30(3)24(32)33/h4-12,15-16,29H,13-14H2,1-3H3