7-(4-bromanylbutyl)-2-[(3-ethyl-4-methyl-phenyl)amino]-3H-purin-6-one

Systemtic Name: 7-(4-bromanylbutyl)-2-[(3-ethyl-4-methyl-phenyl)amino]-3H-purin-6-one Openeye Name: 7-(4-bromobutyl)-2-(3-ethyl-4-methyl-anilino)-3H-purin-6-one CAS Name: 7-(4-bromobutyl)-2-(3-ethyl-4-methylanilino)-3H-purin-6-one IUPAC Name: 7-(4-bromobutyl)-2-(3-ethyl-4-methylanilino)-3H-purin-6-one Traditional Name: 7-(4-bromobutyl)-2-(3-ethyl-4-methyl-anilino)-3H-purin-6-one Formula: C18H22BrN5O MolecularWeight: 404.30418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCBr)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCBr)C

InChI

InChI=1S/C18H22BrN5O/c1-3-13-10-14(7-6-12(13)2)21-18-22-16-15(17(25)23-18)24(11-20-16)9-5-4-8-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,21,22,23,25)