4-[6-(2-methoxyethylamino)-9-propan-2-yl-purin-2-yl]benzaldehyde

Systemtic Name: 4-[6-(2-methoxyethylamino)-9-propan-2-yl-purin-2-yl]benzaldehyde Openeye Name: 4-[9-isopropyl-6-(2-methoxyethylamino)purin-2-yl]benzaldehyde CAS Name: 4-[6-(2-methoxyethylamino)-9-propan-2-yl-2-purinyl]benzaldehyde IUPAC Name: 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]benzaldehyde Traditional Name: 4-[9-isopropyl-6-(2-methoxyethylamino)purin-2-yl]benzaldehyde Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCOC)C3=CC=C(C=C3)C=O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCOC)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C18H21N5O2/c1-12(2)23-11-20-15-17(19-8-9-25-3)21-16(22-18(15)23)14-6-4-13(10-24)5-7-14/h4-7,10-12H,8-9H2,1-3H3,(H,19,21,22)