4-[(8-cyclohexyl-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl)amino]-3-methyl-benzoic acid

Systemtic Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl)amino]-3-methyl-benzoic acid Openeye Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methyl-benzoic acid CAS Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methylbenzoic acid IUPAC Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methylbenzoic acid Traditional Name: 4-[(8-cyclohexyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl)amino]-3-methyl-benzoic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CN=C(N=C2N1C3CCCCC3)NC4=C(C=C(C=C4)C(=O)O)C)C

Isomeric SMILES

CC1C(=O)N(C2=CN=C(N=C2N1C3CCCCC3)NC4=C(C=C(C=C4)C(=O)O)C)C

InChI

InChI=1S/C22H27N5O3/c1-13-11-15(21(29)30)9-10-17(13)24-22-23-12-18-19(25-22)27(14(2)20(28)26(18)3)16-7-5-4-6-8-16/h9-12,14,16H,4-8H2,1-3H3,(H,29,30)(H,23,24,25)