Chemical Component Summary

NameN-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
IdentifiersN-[[4-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-5-carboxamide
FormulaC19 H18 N6 O2 S
Molecular Weight394.45
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4
InChIInChI=1S/C19H18N6O2S/c26-17(14-10-28-19-16(14)18(27)24-11-25-19)23-8-13-3-1-12(2-4-13)7-20-9-15-21-5-6-22-15/h1-6,10-11,20H,7-9H2,(H,21,22)(H,23,26)(H,24,25,27)
InChIKeyRLANZYKQCHLLJS-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 71677803
ChEMBL CHEMBL2432011