3-[5-[(7aR)-2-azanyl-3-methyl-4-oxidanylidene-6-pyrimidin-2-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-pyrimidin-2-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-pyrimidin-2-yl-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-(2-pyrimidinyl)-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-pyrimidin-2-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-(2-pyrimidyl)-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]-3-thienyl]benzonitrile 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=CC=CC(=C4)C#N)C5=NC=CC=N5

Isomeric SMILES

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

InChI

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