9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(heptan-3-ylamino)-2,7-dimethyl-purin-8-one

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(heptan-3-ylamino)-2,7-dimethyl-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(1-ethylpentylamino)-2,7-dimethyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(heptan-3-ylamino)-2,7-dimethyl-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(heptan-3-ylamino)-2,7-dimethylpurin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(1-ethylpentylamino)-2,7-dimethyl-purin-8-one Formula: C23H32BrN5O MolecularWeight: 474.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)NC1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C)C

Isomeric SMILES

CCCCC(CC)NC1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C)C

InChI

InChI=1S/C23H32BrN5O/c1-7-9-10-17(8-2)27-21-20-22(26-15(5)25-21)29(23(30)28(20)6)19-12-11-16(14(3)4)13-18(19)24/h11-14,17H,7-10H2,1-6H3,(H,25,26,27)