5-[(8-ethyl-2,6-dimethyl-purin-9-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-2-carboxamide

Systemtic Name: 5-[(8-ethyl-2,6-dimethyl-purin-9-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-2-carboxamide Openeye Name: 5-[(8-ethyl-2,6-dimethyl-purin-9-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-2-carboxamide CAS Name: 5-[(8-ethyl-2,6-dimethyl-9-purinyl)methyl]-N-[2-(1-pyrrolidinyl)ethyl]-1H-indole-2-carboxamide IUPAC Name: 5-[(8-ethyl-2,6-dimethylpurin-9-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-2-carboxamide Traditional Name: 5-[(8-ethyl-2,6-dimethyl-purin-9-yl)methyl]-N-(2-pyrrolidinoethyl)-1H-indole-2-carboxamide Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=C(N=C2N1CC3=CC4=C(C=C3)NC(=C4)C(=O)NCCN5CCCC5)C)C

Isomeric SMILES

CCC1=NC2=C(N=C(N=C2N1CC3=CC4=C(C=C3)NC(=C4)C(=O)NCCN5CCCC5)C)C

InChI

InChI=1S/C25H31N7O/c1-4-22-30-23-16(2)27-17(3)28-24(23)32(22)15-18-7-8-20-19(13-18)14-21(29-20)25(33)26-9-12-31-10-5-6-11-31/h7-8,13-14,29H,4-6,9-12,15H2,1-3H3,(H,26,33)