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

Systemtic Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one hydrochloride Openeye Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one hydrochloride CAS Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one hydrochloride IUPAC Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one hydrochloride Traditional Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin hydrochloride Formula: C20H27ClN2O2S MolecularWeight: 394.95858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S.ClH/c1-12(2)15-8-16-14(7-18(23)24-17(16)6-13(15)3)9-25-19-21-10-20(4,5)11-22-19;/h6-8,12H,9-11H2,1-5H3,(H,21,22);1H