4-[3-(cyclohexylmethyl)-2-oxidanylidene-1H-imidazo[4,5-b]pyrazin-5-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[3-(cyclohexylmethyl)-2-oxidanylidene-1H-imidazo[4,5-b]pyrazin-5-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-3-methyl-benzoic acid CAS Name: 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-3-methylbenzoic acid IUPAC Name: 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-3-methylbenzoic acid Traditional Name: 4-[3-(cyclohexylmethyl)-2-keto-1H-imidazo[4,5-b]pyrazin-5-yl]-3-methyl-benzoic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CN=C3C(=N2)N(C(=O)N3)CC4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CN=C3C(=N2)N(C(=O)N3)CC4CCCCC4

InChI

InChI=1S/C20H22N4O3/c1-12-9-14(19(25)26)7-8-15(12)16-10-21-17-18(22-16)24(20(27)23-17)11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,25,26)(H,21,23,27)