1,3-dimethyl-6-[4-[3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride Openeye Name: 1,3-dimethyl-6-[4-[3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride CAS Name: 1,3-dimethyl-6-[4-[3-[4-(methylthio)phenoxy]propyl]-1-piperazinyl]pyrimidine-2,4-dione hydrochloride IUPAC Name: 1,3-dimethyl-6-[4-[3-(4-methylsulfanylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione hydrochloride Traditional Name: 1,3-dimethyl-6-[4-[3-[4-(methylthio)phenoxy]propyl]piperazino]pyrimidine-2,4-quinone hydrochloride Formula: C20H29ClN4O3S MolecularWeight: 440.98726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC=C(C=C3)SC.Cl

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC=C(C=C3)SC.Cl

InChI

InChI=1S/C20H28N4O3S.ClH/c1-21-18(15-19(25)22(2)20(21)26)24-12-10-23(11-13-24)9-4-14-27-16-5-7-17(28-3)8-6-16;/h5-8,15H,4,9-14H2,1-3H3;1H