6,7-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6,7-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 6,7-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 6,7-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 6,7-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]coumarin Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NCCCN3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NCCCN3)C

InChI

InChI=1S/C16H18N2O2S/c1-10-6-13-12(9-21-16-17-4-3-5-18-16)8-15(19)20-14(13)7-11(10)2/h6-8H,3-5,9H2,1-2H3,(H,17,18)