1-(1-adamantyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]urea Openeye Name: 1-(1-adamantyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]urea CAS Name: 1-(1-adamantyl)-3-[[(4,6-dimethyl-2-pyrimidinyl)amino]-phenethyliminomethyl]urea IUPAC Name: 1-(1-adamantyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethylcarbamimidoyl]urea Traditional Name: 1-(1-adamantyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-amidino]urea Formula: C26H34N6O MolecularWeight: 446.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H34N6O/c1-17-10-18(2)29-24(28-17)30-23(27-9-8-19-6-4-3-5-7-19)31-25(33)32-26-14-20-11-21(15-26)13-22(12-20)16-26/h3-7,10,20-22H,8-9,11-16H2,1-2H3,(H3,27,28,29,30,31,32,33)