2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one dihydrochloride

Systemtic Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one dihydrochloride Openeye Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(2-thienylmethyl)-1H-pyrimidin-6-one dihydrochloride CAS Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one dihydrochloride IUPAC Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one dihydrochloride Traditional Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(2-thenyl)-1H-pyrimidin-6-one dihydrochloride Formula: C17H23Cl2N5OS2 MolecularWeight: 448.43342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=CC=CS3.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=CC=CS3.Cl.Cl

InChI

InChI=1S/C17H21N5OS2.2ClH/c1-12-15(21-11-20-12)10-24-6-3-5-18-17-19-9-13(16(23)22-17)8-14-4-2-7-25-14;;/h2,4,7,9,11H,3,5-6,8,10H2,1H3,(H,20,21)(H2,18,19,22,23);2*1H