N-butyl-4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxidanylidene-1H-pteridin-5-ium-6-yl]ethyl]amino]benzamide

Systemtic Name: N-butyl-4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxidanylidene-1H-pteridin-5-ium-6-yl]ethyl]amino]benzamide Openeye Name: N-butyl-4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxo-1H-pteridin-5-ium-6-yl]ethyl]amino]benzamide CAS Name: N-butyl-4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxo-1H-pteridin-5-ium-6-yl]ethyl]amino]benzamide IUPAC Name: N-butyl-4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxo-1H-pteridin-5-ium-6-yl]ethyl]amino]benzamide Traditional Name: N-butyl-4-[1-[4-keto-5-methyl-2-(methylamino)-1H-pteridin-5-ium-6-yl]ethyl-methyl-amino]benzamide Formula: C22H30N7O2+ MolecularWeight: 424.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N(C)C(C)C2=CN=C3C(=[N+]2C)C(=O)N=C(N3)NC

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N(C)C(C)C2=CN=C3C(=[N+]2C)C(=O)N=C(N3)NC

InChI

InChI=1S/C22H29N7O2/c1-6-7-12-24-20(30)15-8-10-16(11-9-15)28(4)14(2)17-13-25-19-18(29(17)5)21(31)27-22(23-3)26-19/h8-11,13-14H,6-7,12H2,1-5H3,(H2-,23,24,25,26,27,30,31)/p+1