2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidine-6-thione

Systemtic Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidine-6-thione Openeye Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidine-6-thione CAS Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidine-6-thione IUPAC Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidine-6-thione Traditional Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidine-6-thione Formula: C16H18N6S2 MolecularWeight: 358.48432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=S)NCCSCC3=CN=CN3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=S)NCCSCC3=CN=CN3

InChI

InChI=1S/C16H18N6S2/c23-15-13(6-12-2-1-3-17-7-12)8-20-16(22-15)19-4-5-24-10-14-9-18-11-21-14/h1-3,7-9,11H,4-6,10H2,(H,18,21)(H2,19,20,22,23)