N-(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(2-methyl-6-oxo-9-phenyl-purin-1-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(2-methyl-6-oxo-9-phenyl-1-purinyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(6-keto-2-methyl-9-phenyl-purin-1-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H25N7O2+2 MolecularWeight: 383.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1NC(=O)C[NH+]3CC[NH+](CC3)C)N=CN2C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=O)N1NC(=O)C[NH+]3CC[NH+](CC3)C)N=CN2C4=CC=CC=C4

InChI

InChI=1S/C19H23N7O2/c1-14-21-18-17(20-13-25(18)15-6-4-3-5-7-15)19(28)26(14)22-16(27)12-24-10-8-23(2)9-11-24/h3-7,13H,8-12H2,1-2H3,(H,22,27)/p+2