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

Systemtic Name: 4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxidanylidene-1H-pteridin-5-ium-6-yl]ethyl]amino]-N-propyl-benzamide Openeye Name: 4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxo-1H-pteridin-5-ium-6-yl]ethyl]amino]-N-propyl-benzamide CAS Name: 4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxo-1H-pteridin-5-ium-6-yl]ethyl]amino]-N-propylbenzamide IUPAC Name: 4-[methyl-[1-[5-methyl-2-(methylamino)-4-oxo-1H-pteridin-5-ium-6-yl]ethyl]amino]-N-propylbenzamide Traditional Name: 4-[1-[4-keto-5-methyl-2-(methylamino)-1H-pteridin-5-ium-6-yl]ethyl-methyl-amino]-N-propyl-benzamide Formula: C21H28N7O2+ MolecularWeight: 410.49272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O2/c1-6-11-23-19(29)14-7-9-15(10-8-14)27(4)13(2)16-12-24-18-17(28(16)5)20(30)26-21(22-3)25-18/h7-10,12-13H,6,11H2,1-5H3,(H2-,22,23,24,25,26,29,30)/p+1