N-(1-adamantyl)-4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[6-methyl-2-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C30H41N5O MolecularWeight: 487.67944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C(C)C)C

InChI

InChI=1S/C30H41N5O/c1-19(2)26-21(4)31-27(25-7-5-6-20(3)12-25)32-28(26)34-8-10-35(11-9-34)29(36)33-30-16-22-13-23(17-30)15-24(14-22)18-30/h5-7,12,19,22-24H,8-11,13-18H2,1-4H3,(H,33,36)