N-[5-butyl-3-(4-chlorophenyl)-7-iodanyl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide

Systemtic Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodanyl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide Openeye Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide CAS Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]-3-pyridinecarboxamide IUPAC Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide Traditional Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]nicotinamide Formula: C21H20ClIN6O MolecularWeight: 534.78057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(N1NC(=O)C3=CN=CC=C3)I)NN=C2C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=NC2=C(C(N1NC(=O)C3=CN=CC=C3)I)NN=C2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClIN6O/c1-2-3-6-16-25-18-17(13-7-9-15(22)10-8-13)26-27-19(18)20(23)29(16)28-21(30)14-5-4-11-24-12-14/h4-5,7-12,20H,2-3,6H2,1H3,(H,26,27)(H,28,30)