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

Systemtic Name: 5-[5-[(7aR)-2-azanyl-3-methyl-4-oxidanylidene-6-pyridin-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]pyridine-3-carbonitrile Openeye Name: 5-[5-[(7aR)-2-amino-3-methyl-4-oxo-6-(2-pyridyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-3-thienyl]pyridine-3-carbonitrile CAS Name: 5-[5-[(7aR)-2-amino-3-methyl-4-oxo-6-(2-pyridinyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-3-thiophenyl]-3-pyridinecarbonitrile IUPAC Name: 5-[5-[(7aR)-2-amino-3-methyl-4-oxo-6-pyridin-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]pyridine-3-carbonitrile Traditional Name: 5-[5-[(7aR)-2-amino-4-keto-3-methyl-6-(2-pyridyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-3-thienyl]nicotinonitrile Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2CN(CC2(N=C1N)C3=CC(=CS3)C4=CN=CC(=C4)C#N)C5=CC=CC=N5

Isomeric SMILES

CN1C(=O)C2CN(C[C@@]2(N=C1N)C3=CC(=CS3)C4=CN=CC(=C4)C#N)C5=CC=CC=N5

InChI

InChI=1S/C22H19N7OS/c1-28-20(30)17-11-29(19-4-2-3-5-26-19)13-22(17,27-21(28)24)18-7-16(12-31-18)15-6-14(8-23)9-25-10-15/h2-7,9-10,12,17H,11,13H2,1H3,(H2,24,27)/t17?,22-/m0/s1