5-[5-(2-azanyl-6-cyclohexylcarbonyl-3-methyl-4-oxidanylidene-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[5-(2-azanyl-6-cyclohexylcarbonyl-3-methyl-4-oxidanylidene-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[5-[2-amino-6-(cyclohexanecarbonyl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-2-thienyl]-2-fluoro-benzonitrile CAS Name: 5-[5-[2-amino-6-[cyclohexyl(oxo)methyl]-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-2-thiophenyl]-2-fluorobenzonitrile IUPAC Name: 5-[5-[2-amino-6-(cyclohexanecarbonyl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl]-2-fluorobenzonitrile Traditional Name: 5-[5-[2-amino-6-(cyclohexanecarbonyl)-4-keto-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-2-thienyl]-2-fluoro-benzonitrile Formula: C25H26FN5O2S MolecularWeight: 479.569643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=C(S3)C4=CC(=C(C=C4)F)C#N)C(=O)C5CCCCC5

Isomeric SMILES

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=C(S3)C4=CC(=C(C=C4)F)C#N)C(=O)C5CCCCC5

InChI

InChI=1S/C25H26FN5O2S/c1-30-23(33)18-13-31(22(32)15-5-3-2-4-6-15)14-25(18,29-24(30)28)21-10-9-20(34-21)16-7-8-19(26)17(11-16)12-27/h7-11,15,18H,2-6,13-14H2,1H3,(H2,28,29)