2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyrimidine CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]pyrimidine IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]pyrimidine Formula: C14H13ClN2O2S MolecularWeight: 308.78322

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC=CC=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC=CC=N3)Cl)OC1

InChI

InChI=1S/C14H13ClN2O2S/c15-11-7-10(9-20-14-16-3-1-4-17-14)8-12-13(11)19-6-2-5-18-12/h1,3-4,7-8H,2,5-6,9H2