9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(1-methoxybutan-2-ylamino)-2,7-dimethyl-purin-8-one

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(1-methoxybutan-2-ylamino)-2,7-dimethyl-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[1-(methoxymethyl)propylamino]-2,7-dimethyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(1-methoxybutan-2-ylamino)-2,7-dimethyl-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(1-methoxybutan-2-ylamino)-2,7-dimethylpurin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[1-(methoxymethyl)propylamino]-2,7-dimethyl-purin-8-one Formula: C21H28BrN5O2 MolecularWeight: 462.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)NC1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C)C

Isomeric SMILES

CCC(COC)NC1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C)C

InChI

InChI=1S/C21H28BrN5O2/c1-7-15(11-29-6)25-19-18-20(24-13(4)23-19)27(21(28)26(18)5)17-9-8-14(12(2)3)10-16(17)22/h8-10,12,15H,7,11H2,1-6H3,(H,23,24,25)