[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]-methyl-ammonium CAS Name: (7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]-methylazanium Traditional Name: benzyl-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]-methyl-ammonium Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-5-6-12-25-16(14-22(2)13-15-10-8-7-9-11-15)21-18-17(25)19(26)24(4)20(27)23(18)3/h7-11H,5-6,12-14H2,1-4H3/p+1