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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[cyclopropylmethyl(2-methoxyethyl)amino]-2,7-dimethyl-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[cyclopropylmethyl(2-methoxyethyl)amino]-2,7-dimethyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[cyclopropylmethyl(2-methoxyethyl)amino]-2,7-dimethyl-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[cyclopropylmethyl(2-methoxyethyl)amino]-2,7-dimethylpurin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[cyclopropylmethyl(2-methoxyethyl)amino]-2,7-dimethyl-purin-8-one Formula: C23H30BrN5O2 MolecularWeight: 488.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N(CCOC)CC3CC3)N(C(=O)N2C4=C(C=C(C=C4)C(C)C)Br)C

Isomeric SMILES

CC1=NC2=C(C(=N1)N(CCOC)CC3CC3)N(C(=O)N2C4=C(C=C(C=C4)C(C)C)Br)C

InChI

InChI=1S/C23H30BrN5O2/c1-14(2)17-8-9-19(18(24)12-17)29-22-20(27(4)23(29)30)21(25-15(3)26-22)28(10-11-31-5)13-16-6-7-16/h8-9,12,14,16H,6-7,10-11,13H2,1-5H3