5-(quinolin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride

Systemtic Name: 5-(quinolin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride Openeye Name: 5-(3-quinolylmethyl)-2-[2-(thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride CAS Name: 5-(3-quinolinylmethyl)-2-[2-(2-thiazolylmethylthio)ethylamino]-1H-pyrimidin-6-one trihydrochloride IUPAC Name: 5-(quinolin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride Traditional Name: 5-(3-quinolylmethyl)-2-[2-(thiazol-2-ylmethylthio)ethylamino]-1H-pyrimidin-6-one trihydrochloride Formula: C20H22Cl3N5OS2 MolecularWeight: 518.91058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CC3=CN=C(NC3=O)NCCSCC4=NC=CS4.Cl.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CC3=CN=C(NC3=O)NCCSCC4=NC=CS4.Cl.Cl.Cl

InChI

InChI=1S/C20H19N5OS2.3ClH/c26-19-16(10-14-9-15-3-1-2-4-17(15)23-11-14)12-24-20(25-19)22-5-7-27-13-18-21-6-8-28-18;;;/h1-4,6,8-9,11-12H,5,7,10,13H2,(H2,22,24,25,26);3*1H