3-[5-[(7aR)-2-azanyl-3-methyl-4-oxidanylidene-6-pyrimidin-5-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-5-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-5-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-(5-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-5-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-(5-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=CN=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7OS/c1-28-20(30)18-10-29(17-8-25-13-26-9-17)12-22(18,27-21(28)24)19-6-16(11-31-19)15-4-2-3-14(5-15)7-23/h2-6,8-9,11,13,18H,10,12H2,1H3,(H2,24,27)/t18?,22-/m0/s1