9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[2-methoxyethyl-(phenylmethyl)amino]-2,7-dimethyl-purin-8-one

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[2-methoxyethyl-(phenylmethyl)amino]-2,7-dimethyl-purin-8-one Openeye Name: 6-[benzyl(2-methoxyethyl)amino]-9-(2-bromo-4-isopropyl-phenyl)-2,7-dimethyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[2-methoxyethyl-(phenylmethyl)amino]-2,7-dimethyl-8-purinone IUPAC Name: 6-[benzyl(2-methoxyethyl)amino]-9-(2-bromo-4-propan-2-ylphenyl)-2,7-dimethylpurin-8-one Traditional Name: 6-[benzyl(2-methoxyethyl)amino]-9-(2-bromo-4-isopropyl-phenyl)-2,7-dimethyl-purin-8-one Formula: C26H30BrN5O2 MolecularWeight: 524.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N(CCOC)CC3=CC=CC=C3)N(C(=O)N2C4=C(C=C(C=C4)C(C)C)Br)C

Isomeric SMILES

CC1=NC2=C(C(=N1)N(CCOC)CC3=CC=CC=C3)N(C(=O)N2C4=C(C=C(C=C4)C(C)C)Br)C

InChI

InChI=1S/C26H30BrN5O2/c1-17(2)20-11-12-22(21(27)15-20)32-25-23(30(4)26(32)33)24(28-18(3)29-25)31(13-14-34-5)16-19-9-7-6-8-10-19/h6-12,15,17H,13-14,16H2,1-5H3