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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl-(2-pyridylmethyl)ammonium CAS Name: (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl-(2-pyridinylmethyl)ammonium IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl-(pyridin-2-ylmethyl)azanium Traditional Name: (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl-(2-pyridylmethyl)ammonium Formula: C19H27N6O2+ MolecularWeight: 371.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CC3=CC=CC=N3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CC3=CC=CC=N3)CCC

InChI

InChI=1S/C19H26N6O2/c1-3-5-11-25-17-16(18(26)23-19(25)27)24(10-4-2)15(22-17)13-20-12-14-8-6-7-9-21-14/h6-9,20H,3-5,10-13H2,1-2H3,(H,23,26,27)/p+1