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

Systemtic Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid Openeye Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid CAS Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid IUPAC Name: 4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid Traditional Name: 4-[(8-cyclohexyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-13-20(28)26(2)17-12-23-22(25-19(17)27(13)15-7-5-4-6-8-15)24-16-10-9-14(21(29)30)11-18(16)31-3/h9-13,15H,4-8H2,1-3H3,(H,29,30)(H,23,24,25)