N-(2-chloranyl-5-methyl-phenyl)-3-(2,3-dihydroindol-1-yl)-2-(2-hexan-2-yloxy-6-propoxy-purin-9-yl)-3-oxidanylidene-propanamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-3-(2,3-dihydroindol-1-yl)-2-(2-hexan-2-yloxy-6-propoxy-purin-9-yl)-3-oxidanylidene-propanamide Openeye Name: N-(2-chloro-5-methyl-phenyl)-3-indolin-1-yl-2-[2-(1-methylpentoxy)-6-propoxy-purin-9-yl]-3-oxo-propanamide CAS Name: N-(2-chloro-5-methylphenyl)-3-(2,3-dihydroindol-1-yl)-2-(2-hexan-2-yloxy-6-propoxy-9-purinyl)-3-oxopropanamide IUPAC Name: N-(2-chloro-5-methylphenyl)-3-(2,3-dihydroindol-1-yl)-2-(2-hexan-2-yloxy-6-propoxypurin-9-yl)-3-oxopropanamide Traditional Name: N-(2-chloro-5-methyl-phenyl)-3-indolin-1-yl-3-keto-2-[2-(1-methylpentoxy)-6-propoxy-purin-9-yl]propionamide Formula: C32H37ClN6O4 MolecularWeight: 605.12698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC1=NC2=C(C(=N1)OCCC)N=CN2C(C(=O)NC3=C(C=CC(=C3)C)Cl)C(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCCCC(C)OC1=NC2=C(C(=N1)OCCC)N=CN2C(C(=O)NC3=C(C=CC(=C3)C)Cl)C(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C32H37ClN6O4/c1-5-7-10-21(4)43-32-36-28-26(30(37-32)42-17-6-2)34-19-39(28)27(29(40)35-24-18-20(3)13-14-23(24)33)31(41)38-16-15-22-11-8-9-12-25(22)38/h8-9,11-14,18-19,21,27H,5-7,10,15-17H2,1-4H3,(H,35,40)