Chemical Component Summary

Name(2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one
Identifiers(6S)-2-azanylidene-6-methyl-3-[[3-[(4R)-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-1,3-diazinan-4-one
FormulaC25 H30 N4 O2
Molecular Weight418.531
TypeNON-POLYMER
Isomeric SMILES[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C
InChIInChI=1S/C25H30N4O2/c1-17(2)25(3)14-23(31)29(24(26)27-25)15-18-8-7-11-21(12-18)28-16-20(13-22(28)30)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H2,26,27)/t20-,25-/m0/s1
InChIKeyVBYHYTJHKFQNCE-CPJSRVTESA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count2
Bond Count64
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL3401342
PubChem 71738915
ChEMBL CHEMBL3401342