N-(1-adamantyl)-4-[[2,4-bis(azanyl)-8-oxidanylidene-4H-pteridin-8-ium-6-yl]methyl-methyl-amino]benzamide

Systemtic Name: N-(1-adamantyl)-4-[[2,4-bis(azanyl)-8-oxidanylidene-4H-pteridin-8-ium-6-yl]methyl-methyl-amino]benzamide Openeye Name: N-(1-adamantyl)-4-[(2,4-diamino-8-oxo-4H-pteridin-8-ium-6-yl)methyl-methyl-amino]benzamide CAS Name: N-(1-adamantyl)-4-[(2,4-diamino-8-oxo-4H-pteridin-8-ium-6-yl)methyl-methylamino]benzamide IUPAC Name: N-(1-adamantyl)-4-[(2,4-diamino-8-oxo-4H-pteridin-8-ium-6-yl)methyl-methylamino]benzamide Traditional Name: N-(1-adamantyl)-4-[(2,4-diamino-8-keto-4H-pteridin-8-ium-6-yl)methyl-methyl-amino]benzamide Formula: C25H31N8O2+ MolecularWeight: 475.56604

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C[N+](=O)C2=NC(=NC(C2=N1)N)N)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(CC1=C[N+](=O)C2=NC(=NC(C2=N1)N)N)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N8O2/c1-32(12-18-13-33(35)22-20(28-18)21(26)29-24(27)30-22)19-4-2-17(3-5-19)23(34)31-25-9-14-6-15(10-25)8-16(7-14)11-25/h2-5,13-16,21H,6-12,26H2,1H3,(H2-,27,29,31,34)/p+1