3-(4-pyridin-4-ylsulfanylbutyl)-1-(pyridin-4-ylsulfanylmethyl)quinazoline-2,4-dione dihydrochloride

Systemtic Name: 3-(4-pyridin-4-ylsulfanylbutyl)-1-(pyridin-4-ylsulfanylmethyl)quinazoline-2,4-dione dihydrochloride Openeye Name: 3-[4-(4-pyridylsulfanyl)butyl]-1-(4-pyridylsulfanylmethyl)quinazoline-2,4-dione dihydrochloride CAS Name: 3-[4-(pyridin-4-ylthio)butyl]-1-[(pyridin-4-ylthio)methyl]quinazoline-2,4-dione dihydrochloride IUPAC Name: 3-(4-pyridin-4-ylsulfanylbutyl)-1-(pyridin-4-ylsulfanylmethyl)quinazoline-2,4-dione dihydrochloride Traditional Name: 3-[4-(4-pyridylthio)butyl]-1-[(4-pyridylthio)methyl]quinazoline-2,4-quinone dihydrochloride Formula: C23H24Cl2N4O2S2 MolecularWeight: 523.49826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=O)N2CSC3=CC=NC=C3)CCCCSC4=CC=NC=C4.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2CSC3=CC=NC=C3)CCCCSC4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C23H22N4O2S2.2ClH/c28-22-20-5-1-2-6-21(20)27(17-31-19-9-13-25-14-10-19)23(29)26(22)15-3-4-16-30-18-7-11-24-12-8-18;;/h1-2,5-14H,3-4,15-17H2;2*1H