2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl-(3-oxidanylpropyl)azanium

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl-(3-oxidanylpropyl)azanium Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl-(3-hydroxypropyl)ammonium CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl-(3-hydroxypropyl)ammonium IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl-(3-hydroxypropyl)azanium Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl-(3-hydroxypropyl)ammonium Formula: C12H20N5O3+ MolecularWeight: 282.3189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC[NH2+]CCCO

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC[NH2+]CCCO

InChI

InChI=1S/C12H19N5O3/c1-15-8-14-10-9(15)11(19)17(12(20)16(10)2)6-5-13-4-3-7-18/h8,13,18H,3-7H2,1-2H3/p+1