2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine CAS Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-(4-methoxyphenyl)pyrimidine IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-4-(4-methoxyphenyl)pyrimidine Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O3S/c1-23-15-8-6-14(7-9-15)17-10-11-21-20(22-17)26-13-16-12-24-18-4-2-3-5-19(18)25-16/h2-11,16H,12-13H2,1H3/t16-/m1/s1