N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-4-oxidanylidene-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-4-oxidanylidene-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-4-oxo-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O2S2/c1-3-4-10-15-25-26-21(29-15)24-19(28)17-12(2)16-18(27)22-14(23-20(16)30-17)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H,22,23,27)(H,24,26,28)