2-[5-cyano-4-(cyclohexylmethylamino)-2-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-4-(cyclohexylmethylamino)-2-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-4-(cyclohexylmethylamino)-2-methyl-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-cyano-4-(cyclohexylmethylamino)-2-methyl-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-cyano-4-(cyclohexylmethylamino)-2-methyl-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-cyano-4-(cyclohexylmethylamino)-6-keto-2-methyl-pyrimidin-1-yl]acetic acid Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)NCC2CCCCC2

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)NCC2CCCCC2

InChI

InChI=1S/C15H20N4O3/c1-10-18-14(17-8-11-5-3-2-4-6-11)12(7-16)15(22)19(10)9-13(20)21/h11,17H,2-6,8-9H2,1H3,(H,20,21)