4-[(5-ethanoyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(5-ethanoyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(5-acetyl-2-ethyl-6-methyl-4-pyrimidinyl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(5-acetyl-2-ethyl-6-methyl-pyrimidin-4-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C(=O)C)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C(=O)C)C

InChI

InChI=1S/C21H22N2O3S/c1-6-17-22-13(4)19(14(5)24)21(23-17)27-10-15-9-18(25)26-20-12(3)11(2)7-8-16(15)20/h7-9H,6,10H2,1-5H3