N-(7-iodanyl-5-pentyl-3-thiophen-2-yl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)-3-methyl-benzamide

Systemtic Name: N-(7-iodanyl-5-pentyl-3-thiophen-2-yl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)-3-methyl-benzamide Openeye Name: N-[7-iodo-5-pentyl-3-(2-thienyl)-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]-3-methyl-benzamide CAS Name: N-(7-iodo-5-pentyl-3-thiophen-2-yl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)-3-methylbenzamide IUPAC Name: N-(7-iodo-5-pentyl-3-thiophen-2-yl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)-3-methylbenzamide Traditional Name: N-[5-amyl-7-iodo-3-(2-thienyl)-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]-3-methyl-benzamide Formula: C22H24IN5OS MolecularWeight: 533.42833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(N1NC(=O)C3=CC(=CC=C3)C)I)NN=C2C4=CC=CS4

Isomeric SMILES

CCCCCC1=NC2=C(C(N1NC(=O)C3=CC(=CC=C3)C)I)NN=C2C4=CC=CS4

InChI

InChI=1S/C22H24IN5OS/c1-3-4-5-11-17-24-19-18(16-10-7-12-30-16)25-26-20(19)21(23)28(17)27-22(29)15-9-6-8-14(2)13-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,25,26)(H,27,29)