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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[cyclopropylmethyl(propyl)amino]-2,7-dimethyl-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[cyclopropylmethyl(propyl)amino]-2,7-dimethyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[cyclopropylmethyl(propyl)amino]-2,7-dimethyl-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[cyclopropylmethyl(propyl)amino]-2,7-dimethylpurin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[cyclopropylmethyl(propyl)amino]-2,7-dimethyl-purin-8-one Formula: C23H30BrN5O MolecularWeight: 472.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C2=NC(=NC3=C2N(C(=O)N3C4=C(C=C(C=C4)C(C)C)Br)C)C

Isomeric SMILES

CCCN(CC1CC1)C2=NC(=NC3=C2N(C(=O)N3C4=C(C=C(C=C4)C(C)C)Br)C)C

InChI

InChI=1S/C23H30BrN5O/c1-6-11-28(13-16-7-8-16)21-20-22(26-15(4)25-21)29(23(30)27(20)5)19-10-9-17(14(2)3)12-18(19)24/h9-10,12,14,16H,6-8,11,13H2,1-5H3