5-(3,4-dimethylphenyl)-N-(4-hexoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(4-hexoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3,4-dimethylphenyl)-N-(4-hexoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(3,4-dimethylphenyl)-N-(4-hexoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(3,4-dimethylphenyl)-N-(4-hexoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]-(4-hexoxyphenyl)amine Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H31N3OS/c1-5-6-7-8-15-31-23-13-11-22(12-14-23)30-26-25-24(20(4)32-27(25)29-17-28-26)21-10-9-18(2)19(3)16-21/h9-14,16-17H,5-8,15H2,1-4H3,(H,28,29,30)