4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-6-methyl-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN=C2SC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN=C2SC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

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