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

Systemtic Name: N-(4-butylphenyl)-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-benzyl-N-(4-butylphenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(4-butylphenyl)-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-benzyl-N-(4-butylphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-benzyl-N-(4-butylphenyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O2S/c1-3-4-8-18-11-13-20(14-12-18)27-23(29)22-17(2)21-24(31-22)26-16-28(25(21)30)15-19-9-6-5-7-10-19/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,27,29)