6-azanyl-7,9-dimethyl-3-(phenylmethyl)purin-3-ium-8-one

Systemtic Name: 6-azanyl-7,9-dimethyl-3-(phenylmethyl)purin-3-ium-8-one Openeye Name: 6-amino-3-benzyl-7,9-dimethyl-purin-3-ium-8-one CAS Name: 6-amino-7,9-dimethyl-3-(phenylmethyl)-8-purin-3-iumone IUPAC Name: 6-amino-3-benzyl-7,9-dimethylpurin-3-ium-8-one Traditional Name: 6-amino-3-benzyl-7,9-dimethyl-purin-3-ium-8-one Formula: C14H16N5O+ MolecularWeight: 270.30974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C[N+](=C2N(C1=O)C)CC3=CC=CC=C3)N

Isomeric SMILES

CN1C2=C(N=C[N+](=C2N(C1=O)C)CC3=CC=CC=C3)N

InChI

InChI=1S/C14H15N5O/c1-17-11-12(15)16-9-19(13(11)18(2)14(17)20)8-10-6-4-3-5-7-10/h3-7,9,15H,8H2,1-2H3/p+1