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

Systemtic Name: 4-[[7-ethyl-5-methyl-8-(3-methylbutyl)-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-benzoic acid Openeye Name: 4-[(7-ethyl-8-isopentyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid CAS Name: 4-[[7-ethyl-5-methyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid IUPAC Name: 4-[[7-ethyl-5-methyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid Traditional Name: 4-[(7-ethyl-8-isoamyl-6-keto-5-methyl-7H-pteridin-2-yl)amino]-3-methoxy-benzoic acid Formula: C22H29N5O4 MolecularWeight: 427.49676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=C(C=C(C=C3)C(=O)O)OC)C

Isomeric SMILES

CCC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=C(C=C(C=C3)C(=O)O)OC)C

InChI

InChI=1S/C22H29N5O4/c1-6-16-20(28)26(4)17-12-23-22(25-19(17)27(16)10-9-13(2)3)24-15-8-7-14(21(29)30)11-18(15)31-5/h7-8,11-13,16H,6,9-10H2,1-5H3,(H,29,30)(H,23,24,25)