5-(2,4-dimethylphenyl)-3-heptyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2,4-dimethylphenyl)-3-heptyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2,4-dimethylphenyl)-3-heptyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2,4-dimethylphenyl)-3-heptyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(2,4-dimethylphenyl)-3-heptylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2,4-dimethylphenyl)-3-heptyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C(C1=O)C(=CS2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCCCCCN1C=NC2=C(C1=O)C(=CS2)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H26N2OS/c1-4-5-6-7-8-11-23-14-22-20-19(21(23)24)18(13-25-20)17-10-9-15(2)12-16(17)3/h9-10,12-14H,4-8,11H2,1-3H3