2-[2-[(3-azanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidine-6-thione

Systemtic Name: 2-[2-[(3-azanylpyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidine-6-thione Openeye Name: 2-[2-[(3-amino-2-pyridyl)methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidine-6-thione CAS Name: 2-[2-[(3-amino-2-pyridinyl)methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidine-6-thione IUPAC Name: 2-[2-[(3-aminopyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidine-6-thione Traditional Name: 2-[2-[(3-amino-2-pyridyl)methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidine-6-thione Formula: C18H20N6S2 MolecularWeight: 384.5216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=S)NCCSCC3=C(C=CC=N3)N

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=S)NCCSCC3=C(C=CC=N3)N

InChI

InChI=1S/C18H20N6S2/c19-15-4-2-6-21-16(15)12-26-8-7-22-18-23-11-14(17(25)24-18)9-13-3-1-5-20-10-13/h1-6,10-11H,7-9,12,19H2,(H2,22,23,24,25)