9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(2-methoxyethylamino)-2,7-dimethyl-purin-8-one

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(2-methoxyethylamino)-2,7-dimethyl-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(2-methoxyethylamino)-2,7-dimethyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(2-methoxyethylamino)-2,7-dimethyl-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(2-methoxyethylamino)-2,7-dimethylpurin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(2-methoxyethylamino)-2,7-dimethyl-purin-8-one Formula: C19H24BrN5O2 MolecularWeight: 434.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCOC)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCOC)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C19H24BrN5O2/c1-11(2)13-6-7-15(14(20)10-13)25-18-16(24(4)19(25)26)17(21-8-9-27-5)22-12(3)23-18/h6-7,10-11H,8-9H2,1-5H3,(H,21,22,23)