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

Systemtic Name: 3-chloranyl-4-[(8-cyclopentyl-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl)amino]benzoic acid Openeye Name: 3-chloro-4-[(8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzoic acid CAS Name: 3-chloro-4-[(8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzoic acid IUPAC Name: 3-chloro-4-[(8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzoic acid Traditional Name: 3-chloro-4-[(8-cyclopentyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl)amino]benzoic acid Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)O)Cl)C

Isomeric SMILES

CC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)O)Cl)C

InChI

InChI=1S/C20H22ClN5O3/c1-11-18(27)25(2)16-10-22-20(24-17(16)26(11)13-5-3-4-6-13)23-15-8-7-12(19(28)29)9-14(15)21/h7-11,13H,3-6H2,1-2H3,(H,28,29)(H,22,23,24)