1-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one hydrochloride

Systemtic Name: 1-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one hydrochloride Openeye Name: 1-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one hydrochloride CAS Name: 1-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-3-benzo[f][1]benzopyranone hydrochloride IUPAC Name: 1-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one hydrochloride Traditional Name: 1-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]benzo[f]chromen-3-one hydrochloride Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C.Cl

Isomeric SMILES

CC1(CNC(=NC1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C.Cl

InChI

InChI=1S/C20H20N2O2S.ClH/c1-20(2)11-21-19(22-12-20)25-10-14-9-17(23)24-16-8-7-13-5-3-4-6-15(13)18(14)16;/h3-9H,10-12H2,1-2H3,(H,21,22);1H