4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methyl-6-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methyl-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methyl-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-methyl-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-methyl-6-phenyl-thieno[2,3-d]pyrimidine Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H16N2O2S2/c1-13-22-20(26-15-7-8-17-18(11-15)25-10-9-24-17)16-12-19(27-21(16)23-13)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3