N-(1-adamantyl)-4-[(4-azanyl-2-azanylidene-8-oxidanyl-pteridin-6-yl)methyl-methyl-amino]benzamide

Systemtic Name: N-(1-adamantyl)-4-[(4-azanyl-2-azanylidene-8-oxidanyl-pteridin-6-yl)methyl-methyl-amino]benzamide Openeye Name: N-(1-adamantyl)-4-[(4-amino-8-hydroxy-2-imino-pteridin-6-yl)methyl-methyl-amino]benzamide CAS Name: N-(1-adamantyl)-4-[(4-amino-8-hydroxy-2-imino-6-pteridinyl)methyl-methylamino]benzamide IUPAC Name: N-(1-adamantyl)-4-[(4-amino-8-hydroxy-2-iminopteridin-6-yl)methyl-methylamino]benzamide Traditional Name: N-(1-adamantyl)-4-[(4-amino-8-hydroxy-2-imino-pteridin-6-yl)methyl-methyl-amino]benzamide Formula: C25H30N8O2 MolecularWeight: 474.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(CC1=CN(C2=NC(=N)N=C(C2=N1)N)O)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/h2-5,13-16,35H,6-12H2,1H3,(H,31,34)(H3,26,27,29)