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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=NC(=NC=C2N(C(=O)C1(C)C)C)NC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)CCN1C2=NC(=NC=C2N(C(=O)C1(C)C)C)NC3=C(C=C(C=C3)C(=O)O)OC

InChI

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