7-chloranyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one hydrochloride

Systemtic Name: 7-chloranyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one hydrochloride Openeye Name: 7-chloro-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one hydrochloride CAS Name: 7-chloro-2-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]-1H-quinazolin-4-one hydrochloride IUPAC Name: 7-chloro-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one hydrochloride Traditional Name: 7-chloro-2-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]-1H-quinazolin-4-one hydrochloride Formula: C13H14Cl2N4OS MolecularWeight: 345.24746

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl.Cl

Isomeric SMILES

C1CNC(=NC1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl.Cl

InChI

InChI=1S/C13H13ClN4OS.ClH/c14-8-2-3-9-10(6-8)17-11(18-12(9)19)7-20-13-15-4-1-5-16-13;/h2-3,6H,1,4-5,7H2,(H,15,16)(H,17,18,19);1H