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

Systemtic Name: 3-[5-[(7aR)-2-azanyl-3-methyl-4-oxidanylidene-6-pyridin-3-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[(7aR)-2-amino-3-methyl-4-oxo-6-(3-pyridyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-3-thienyl]benzonitrile CAS Name: 3-[5-[(7aR)-2-amino-3-methyl-4-oxo-6-(3-pyridinyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-3-thiophenyl]benzonitrile IUPAC Name: 3-[5-[(7aR)-2-amino-3-methyl-4-oxo-6-pyridin-3-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile Traditional Name: 3-[5-[(7aR)-2-amino-4-keto-3-methyl-6-(3-pyridyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-3-thienyl]benzonitrile Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2CN(CC2(N=C1N)C3=CC(=CS3)C4=CC=CC(=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

CN1C(=O)C2CN(C[C@@]2(N=C1N)C3=CC(=CS3)C4=CC=CC(=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C23H20N6OS/c1-28-21(30)19-12-29(18-6-3-7-26-11-18)14-23(19,27-22(28)25)20-9-17(13-31-20)16-5-2-4-15(8-16)10-24/h2-9,11,13,19H,12,14H2,1H3,(H2,25,27)/t19?,23-/m0/s1