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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1,3-dimethyl-2,6-dioxo-7-pentyl-purin-8-yl)methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7-pentyl-8-purinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1,3-dimethyl-2,6-dioxo-7-pentylpurin-8-yl)methyl]-methylazanium Traditional Name: (7-amyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl-benzyl-methyl-ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-5-6-10-13-26-17(15-23(2)14-16-11-8-7-9-12-16)22-19-18(26)20(27)25(4)21(28)24(19)3/h7-9,11-12H,5-6,10,13-15H2,1-4H3/p+1