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

Systemtic Name: 4-[(8-cyclopentyl-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid Openeye Name: 4-[(8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid CAS Name: 4-[(8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid IUPAC Name: 4-[(8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid Traditional Name: 4-[(8-cyclopentyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-12-19(27)25(2)16-11-22-21(24-18(16)26(12)14-6-4-5-7-14)23-15-9-8-13(20(28)29)10-17(15)30-3/h8-12,14H,4-7H2,1-3H3,(H,28,29)(H,22,23,24)