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

Systemtic Name: 4-[3-[2,4-bis(azanyl)pteridin-6-yl]-2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-[3-(2,4-diamino-6-pteridinyl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[3-(2,4-diaminopteridin-6-yl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-hydroxy-2-keto-1-methyl-ethyl]benzoic acid Formula: C17H16N6O4 MolecularWeight: 368.34674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H16N6O4/c1-17(15(26)27,9-4-2-8(3-5-9)14(24)25)6-10-7-20-13-11(21-10)12(18)22-16(19)23-13/h2-5,7H,6H2,1H3,(H,24,25)(H,26,27)(H4,18,19,20,22,23)