1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-(1-piperidin-1-iumylidene)-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione Traditional Name: 7-(2-keto-1-methyl-propyl)-1,3-dimethyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-quinone Formula: C16H24N5O3+ MolecularWeight: 334.39346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(NC1=[N+]3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C(=O)C)N1C2=C(NC1=[N+]3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H23N5O3/c1-10(11(2)22)21-12-13(18(3)16(24)19(4)14(12)23)17-15(21)20-8-6-5-7-9-20/h10H,5-9H2,1-4H3/p+1