6-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-carboxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[(2,4-diamino-6-pteridinyl)methyl]-1-hydroxy-1-oxobutan-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-hydroxy-1-oxobutan-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[1-carboxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]nicotinic acid Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O4/c1-2-17(15(27)28,10-4-3-8(6-20-10)14(25)26)5-9-7-21-13-11(22-9)12(18)23-16(19)24-13/h3-4,6-7H,2,5H2,1H3,(H,25,26)(H,27,28)(H4,18,19,21,23,24)