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

Systemtic Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-7-methoxy-coumarin Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C

Isomeric SMILES

CC1(CNC(=NC1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C

InChI

InChI=1S/C17H20N2O3S/c1-17(2)9-18-16(19-10-17)23-8-11-6-15(20)22-14-7-12(21-3)4-5-13(11)14/h4-7H,8-10H2,1-3H3,(H,18,19)