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

Systemtic Name: 4-[[5,7-dimethyl-8-(3-methylbutyl)-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-benzoic acid Openeye Name: 4-[(8-isopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid CAS Name: 4-[[5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid IUPAC Name: 4-[[5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid Traditional Name: 4-[(8-isoamyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=C(C=C(C=C3)C(=O)O)OC)C

Isomeric SMILES

CC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=C(C=C(C=C3)C(=O)O)OC)C

InChI

InChI=1S/C21H27N5O4/c1-12(2)8-9-26-13(3)19(27)25(4)16-11-22-21(24-18(16)26)23-15-7-6-14(20(28)29)10-17(15)30-5/h6-7,10-13H,8-9H2,1-5H3,(H,28,29)(H,22,23,24)