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

Systemtic Name: 5-[5-(2-azanyl-3-methyl-4-oxidanylidene-6-phenyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[5-(2-amino-3-methyl-4-oxo-6-phenyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)-2-thienyl]-2-fluoro-benzonitrile CAS Name: 5-[5-(2-amino-3-methyl-4-oxo-6-phenyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)-2-thiophenyl]-2-fluorobenzonitrile IUPAC Name: 5-[5-(2-amino-3-methyl-4-oxo-6-phenyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl]-2-fluorobenzonitrile Traditional Name: 5-[5-(2-amino-4-keto-3-methyl-6-phenyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl)-2-thienyl]-2-fluoro-benzonitrile Formula: C24H20FN5OS MolecularWeight: 445.511903

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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)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2CN(CC2(N=C1N)C3=CC=C(S3)C4=CC(=C(C=C4)F)C#N)C5=CC=CC=C5

InChI

InChI=1S/C24H20FN5OS/c1-29-22(31)18-13-30(17-5-3-2-4-6-17)14-24(18,28-23(29)27)21-10-9-20(32-21)15-7-8-19(25)16(11-15)12-26/h2-11,18H,13-14H2,1H3,(H2,27,28)