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

Systemtic Name: N-(1-adamantyl)-4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]benzamide Openeye Name: N-(1-adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzamide CAS Name: N-(1-adamantyl)-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]benzamide IUPAC Name: N-(1-adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide Traditional Name: N-(1-adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzamide Formula: C25H30N8O MolecularWeight: 458.5587

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N8O/c1-33(13-18-12-28-22-20(29-18)21(26)30-24(27)31-22)19-4-2-17(3-5-19)23(34)32-25-9-14-6-15(10-25)8-16(7-14)11-25/h2-5,12,14-16H,6-11,13H2,1H3,(H,32,34)(H4,26,27,28,30,31)