6-chloranyl-4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one hydrochloride

Systemtic Name: 6-chloranyl-4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one hydrochloride Openeye Name: 6-chloro-4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one hydrochloride CAS Name: 6-chloro-4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-7-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 6-chloro-4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methylchromen-2-one hydrochloride Traditional Name: 6-chloro-4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-7-methyl-coumarin hydrochloride Formula: C17H20Cl2N2O2S MolecularWeight: 387.3239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NCC(CN3)(C)C)Cl.Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NCC(CN3)(C)C)Cl.Cl

InChI

InChI=1S/C17H19ClN2O2S.ClH/c1-10-4-14-12(6-13(10)18)11(5-15(21)22-14)7-23-16-19-8-17(2,3)9-20-16;/h4-6H,7-9H2,1-3H3,(H,19,20);1H