5-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-carboxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[2-[(2,4-diamino-6-pteridinyl)methyl]-1-hydroxy-1-oxobutan-2-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-hydroxy-1-oxobutan-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-carboxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]-2-thenoic acid Formula: C16H16N6O4S MolecularWeight: 388.40104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(S3)C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(S3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N6O4S/c1-2-16(14(25)26,9-4-3-8(27-9)13(23)24)5-7-6-19-12-10(20-7)11(17)21-15(18)22-12/h3-4,6H,2,5H2,1H3,(H,23,24)(H,25,26)(H4,17,18,19,21,22)