N-(4-butylphenyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(4-butylphenyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(4-butylphenyl)-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(4-butylphenyl)-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(4-butylphenyl)-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-butylphenyl)-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O2S/c1-3-4-8-20-11-13-21(14-12-20)28-24(30)23-18(2)22-25(32-23)27-17-29(26(22)31)16-15-19-9-6-5-7-10-19/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3,(H,28,30)