9-methyl-2-phenylazanyl-7-(phenylmethyl)-3H-purin-9-ium-6-one

Systemtic Name: 9-methyl-2-phenylazanyl-7-(phenylmethyl)-3H-purin-9-ium-6-one Openeye Name: 2-anilino-7-benzyl-9-methyl-3H-purin-9-ium-6-one CAS Name: 2-anilino-9-methyl-7-(phenylmethyl)-3H-purin-9-ium-6-one IUPAC Name: 2-anilino-7-benzyl-9-methyl-3H-purin-9-ium-6-one Traditional Name: 2-anilino-7-benzyl-9-methyl-3H-purin-9-ium-6-one Formula: C19H18N5O+ MolecularWeight: 332.37912

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1NC(=NC2=O)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CN(C2=C1NC(=NC2=O)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5O/c1-23-13-24(12-14-8-4-2-5-9-14)16-17(23)21-19(22-18(16)25)20-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H-,20,21,22,25)/p+1