2-[(6-methyl-1,3-benzodioxol-4-yl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(6-methyl-1,3-benzodioxol-4-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(6-methyl-1,3-benzodioxol-4-yl)methylsulfanyl]pyrimidine CAS Name: 2-[(6-methyl-1,3-benzodioxol-4-yl)methylthio]pyrimidine IUPAC Name: 2-[(6-methyl-1,3-benzodioxol-4-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[(6-methyl-1,3-benzodioxol-4-yl)methylthio]pyrimidine Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OCO2)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C2C(=C1)OCO2)CSC3=NC=CC=N3

InChI

InChI=1S/C13H12N2O2S/c1-9-5-10(12-11(6-9)16-8-17-12)7-18-13-14-3-2-4-15-13/h2-6H,7-8H2,1H3