7-methyl-6-propan-2-yl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[(2-pyrimidinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(2-pyrimidylthio)methyl]coumarin Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CC=N3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CC=N3)C(C)C

InChI

InChI=1S/C18H18N2O2S/c1-11(2)14-9-15-13(10-23-18-19-5-4-6-20-18)8-17(21)22-16(15)7-12(14)3/h4-9,11H,10H2,1-3H3