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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-(3-methylbutyl)azanium Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl-isopentyl-ammonium CAS Name: (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl-(3-methylbutyl)ammonium IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl-(3-methylbutyl)azanium Traditional Name: (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl-isoamyl-ammonium Formula: C16H28N5O2+ MolecularWeight: 322.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CCC(C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CCC(C)C)C

InChI

InChI=1S/C16H27N5O2/c1-5-6-9-21-14-13(15(22)19-16(21)23)20(4)12(18-14)10-17-8-7-11(2)3/h11,17H,5-10H2,1-4H3,(H,19,22,23)/p+1