2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-yl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-yl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-(cyclohexoxymethyl)-2-imidazol-1-yl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-(cyclohexyloxymethyl)-2-(1-imidazolyl)-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-(cyclohexoxymethyl)-2-imidazol-1-yl-pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=NC(=C1)COC2CCCCC2)N3C=CN=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC(=NC(=C1)COC2CCCCC2)N3C=CN=C3

InChI

InChI=1S/C20H29N5O3/c1-14(2)10-17(19(26)27)23-18-11-15(12-28-16-6-4-3-5-7-16)22-20(24-18)25-9-8-21-13-25/h8-9,11,13-14,16-17H,3-7,10,12H2,1-2H3,(H,26,27)(H,22,23,24)