Chemical Component Summary

Name2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile
Identifiers2-[(4aR,7aR)-2-azanylidene-7a-[4-(3-cyanophenyl)thiophen-2-yl]-3-methyl-4-oxidanylidene-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile
FormulaC24 H19 N7 O S
Molecular Weight453.519
TypeNON-POLYMER
Isomeric SMILES[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N
InChIInChI=1S/C24H19N7OS/c1-30-22(32)19-12-31(21-17(11-26)6-3-7-28-21)14-24(19,29-23(30)27)20-9-18(13-33-20)16-5-2-4-15(8-16)10-25/h2-9,13,19H,12,14H2,1H3,(H2,27,29)/t19-,24-/m0/s1
InChIKeyLWVMTILRDSZVMA-CYFREDJKSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count2
Bond Count56
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL2178713
PubChem 66557875
ChEMBL CHEMBL2178713