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

Systemtic Name: 6-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]pyridine-3-carboxylic acid CAS Name: 6-[1-(2,4-diamino-6-pteridinyl)butan-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]nicotinic acid Formula: C16H17N7O2 MolecularWeight: 339.35188

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O2/c1-2-8(11-4-3-9(6-19-11)15(24)25)5-10-7-20-14-12(21-10)13(17)22-16(18)23-14/h3-4,6-8H,2,5H2,1H3,(H,24,25)(H4,17,18,20,22,23)