8-bromanyl-9-methyl-2-[(phenylmethyl)amino]-3H-purin-6-one

Systemtic Name: 8-bromanyl-9-methyl-2-[(phenylmethyl)amino]-3H-purin-6-one Openeye Name: 2-(benzylamino)-8-bromo-9-methyl-3H-purin-6-one CAS Name: 8-bromo-9-methyl-2-[(phenylmethyl)amino]-3H-purin-6-one IUPAC Name: 2-(benzylamino)-8-bromo-9-methyl-3H-purin-6-one Traditional Name: 2-(benzylamino)-8-bromo-9-methyl-3H-purin-6-one Formula: C13H12BrN5O MolecularWeight: 334.17128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C(N2)NCC3=CC=CC=C3)N=C1Br

Isomeric SMILES

CN1C2=C(C(=O)N=C(N2)NCC3=CC=CC=C3)N=C1Br

InChI

InChI=1S/C13H12BrN5O/c1-19-10-9(16-12(19)14)11(20)18-13(17-10)15-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,17,18,20)