N-[1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=NC=NC(=C2N1)C3=CNC(=C3)C(=O)NC(CO)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCC1=NC2=NC=NC(=C2N1)C3=CNC(=C3)C(=O)NC(CO)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN6O2/c1-2-4-17-27-19-18(24-11-25-20(19)28-17)13-8-15(23-9-13)21(30)26-16(10-29)12-5-3-6-14(22)7-12/h3,5-9,11,16,23,29H,2,4,10H2,1H3,(H,26,30)(H,24,25,27,28)