N-ethyl-2-(9-methyl-8-oxidanylidene-2-phenyl-7H-purin-9-ium-9-yl)-N-(phenylmethyl)ethanamide hydrochloride

Systemtic Name: N-ethyl-2-(9-methyl-8-oxidanylidene-2-phenyl-7H-purin-9-ium-9-yl)-N-(phenylmethyl)ethanamide hydrochloride Openeye Name: N-benzyl-N-ethyl-2-(9-methyl-8-oxo-2-phenyl-7H-purin-9-ium-9-yl)acetamide hydrochloride CAS Name: N-ethyl-2-(9-methyl-8-oxo-2-phenyl-7H-purin-9-ium-9-yl)-N-(phenylmethyl)acetamide hydrochloride IUPAC Name: N-benzyl-N-ethyl-2-(9-methyl-8-oxo-2-phenyl-7H-purin-9-ium-9-yl)acetamide hydrochloride Traditional Name: N-benzyl-N-ethyl-2-(8-keto-9-methyl-2-phenyl-7H-purin-9-ium-9-yl)acetamide hydrochloride Formula: C23H25ClN5O2+ MolecularWeight: 438.9299

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[N+]2(C3=NC(=NC=C3NC2=O)C4=CC=CC=C4)C.Cl

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[N+]2(C3=NC(=NC=C3NC2=O)C4=CC=CC=C4)C.Cl

InChI

InChI=1S/C23H23N5O2.ClH/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28(2)22-19(25-23(28)30)14-24-21(26-22)18-12-8-5-9-13-18;/h4-14H,3,15-16H2,1-2H3;1H/p+1