5-(3,4-dimethylphenyl)-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(3,4-dimethylphenyl)-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine CAS Name: 5-(3,4-dimethylphenyl)-4-(phenylmethylthio)thieno[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine Formula: C21H18N2S2 MolecularWeight: 362.51102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N2S2/c1-14-8-9-17(10-15(14)2)18-12-25-21-19(18)20(22-13-23-21)24-11-16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3