4-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]naphthalene-1-carboxylic acid Openeye Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-2-oxo-ethyl]naphthalene-1-carboxylic acid CAS Name: 4-[3-(2,4-diamino-6-pteridinyl)-1-hydroxy-1-oxopropan-2-yl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[3-(2,4-diaminopteridin-6-yl)-1-hydroxy-1-oxopropan-2-yl]naphthalene-1-carboxylic acid Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-2-keto-ethyl]-1-naphthoic acid Formula: C20H16N6O4 MolecularWeight: 404.37884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O

InChI

InChI=1S/C20H16N6O4/c21-16-15-17(26-20(22)25-16)23-8-9(24-15)7-14(19(29)30)12-5-6-13(18(27)28)11-4-2-1-3-10(11)12/h1-6,8,14H,7H2,(H,27,28)(H,29,30)(H4,21,22,23,25,26)